3-(2-Benzothiazolyl)aniline
3-(2-Benzothiazolyl)aniline structure
|
Common Name | 3-(2-Benzothiazolyl)aniline | ||
|---|---|---|---|---|
| CAS Number | 41230-21-1 | Molecular Weight | 226.29700 | |
| Density | 1.301 g/cm3 | Boiling Point | 437.7ºC at 760 mmHg | |
| Molecular Formula | C13H10N2S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 218.5ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(1,3-benzothiazol-2-yl)aniline |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.301 g/cm3 |
|---|---|
| Boiling Point | 437.7ºC at 760 mmHg |
| Molecular Formula | C13H10N2S |
| Molecular Weight | 226.29700 |
| Flash Point | 218.5ºC |
| Exact Mass | 226.05600 |
| PSA | 67.15000 |
| LogP | 4.12670 |
| Index of Refraction | 1.73 |
| InChIKey | MKMRZZJJDIBAJF-UHFFFAOYSA-N |
| SMILES | Nc1cccc(-c2nc3ccccc3s2)c1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi: Irritant; |
|---|---|
| HS Code | 2934200090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~97%
3-(2-Benzothiaz... CAS#:41230-21-1 |
| Literature: Stevens, Malcolm F. G.; Shi, Dong-Fang; Castro, Angeles Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1996 , # 1 p. 83 - 94 |
|
~%
3-(2-Benzothiaz... CAS#:41230-21-1 |
| Literature: Tasler, Stefan; Mueller, Oliver; Wieber, Tanja; Herz, Thomas; Krauss, Rolf; Totzke, Frank; Kubbutat, Michael H.G.; Schaechtele, Christoph Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 5 p. 1349 - 1356 |
|
~%
3-(2-Benzothiaz... CAS#:41230-21-1 |
| Literature: Stevens, Malcolm F. G.; Shi, Dong-Fang; Castro, Angeles Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1996 , # 1 p. 83 - 94 |
|
~%
3-(2-Benzothiaz... CAS#:41230-21-1 |
| Literature: Stevens, Malcolm F. G.; Shi, Dong-Fang; Castro, Angeles Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1996 , # 1 p. 83 - 94 |
|
~%
3-(2-Benzothiaz... CAS#:41230-21-1 |
| Literature: Rivier; Zeltner Helvetica Chimica Acta, 1937 , vol. 20, p. 691,699 |
|
~%
3-(2-Benzothiaz... CAS#:41230-21-1 |
| Literature: Rivier; Zeltner Helvetica Chimica Acta, 1937 , vol. 20, p. 691,699 |
|
~%
3-(2-Benzothiaz... CAS#:41230-21-1 |
| Literature: Brembilla,A.; Lochon,P. Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques, 1978 , vol. 286, p. 557 - 559 |
|
~%
3-(2-Benzothiaz... CAS#:41230-21-1 |
| Literature: Kozlov, Vladimir A.; Aleksanyan, Diana V.; Vasilev, Andrei A.; Odinets, Irina L. Phosphorus, Sulfur and Silicon and the Related Elements, 2011 , vol. 186, # 4 p. 626 - 637 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934200090 |
|---|---|
| Summary | 2934200090. other compounds containing in the structure a benzothiazole ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
|
|
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
|
|
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
|
|
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
|
|
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
|
|
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
|
|
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
|
|
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
|
|
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
|
|
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| m-aminophenylbenzothiazole |
| 3-(1,3-BENZOTHIAZOL-2-YL)ANILINE |
| 3-Benzothiazol-2-yl-phenylamine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 3-(1,3-benzothiazol-2-yl)aniline? |
| A: The English name of 3-(1,3-benzothiazol-2-yl)aniline is 3-(1,3-benzothiazol-2-yl)aniline. |
| Q: What is the SMILES notation of 3-(1,3-benzothiazol-2-yl)aniline? |
| A: SMILES notation of 3-(1,3-benzothiazol-2-yl)aniline is Nc1cccc(-c2nc3ccccc3s2)c1. |
| Q: What is the boiling point of 3-(1,3-benzothiazol-2-yl)aniline? |
| A: Boiling point of 3-(1,3-benzothiazol-2-yl)aniline is 437.7ºC at 760 mmHg. |
| Q: What is the polar surface area (PSA) of 3-(1,3-benzothiazol-2-yl)aniline? |
| A: Polar surface area (PSA) of 3-(1,3-benzothiazol-2-yl)aniline is 67.15000. |
| Q: What is the LogP of 3-(1,3-benzothiazol-2-yl)aniline? |
| A: LogP of 3-(1,3-benzothiazol-2-yl)aniline is 4.12670. |
| Q: What English synonyms does 3-(1,3-benzothiazol-2-yl)aniline have? |
| A: English synonyms of 3-(1,3-benzothiazol-2-yl)aniline: m-aminophenylbenzothiazole, 3-(1,3-BENZOTHIAZOL-2-YL)ANILINE, 3-Benzothiazol-2-yl-phenylamine. |
| Q: What is the molecular formula of 3-(1,3-benzothiazol-2-yl)aniline? |
| A: Molecular formula of 3-(1,3-benzothiazol-2-yl)aniline is C13H10N2S. |
| Q: What is the molecular weight of 3-(1,3-benzothiazol-2-yl)aniline? |
| A: Molecular weight of 3-(1,3-benzothiazol-2-yl)aniline is 226.29700. |
| Q: What is the CAS number of 3-(1,3-benzothiazol-2-yl)aniline? |
| A: CAS number of 3-(1,3-benzothiazol-2-yl)aniline is 41230-21-1. |
| Q: What is the InChIKey of 3-(1,3-benzothiazol-2-yl)aniline? |
| A: InChIKey of 3-(1,3-benzothiazol-2-yl)aniline is MKMRZZJJDIBAJF-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |