2-Mercapto-3-methylquinazolin-4(3H)-one
2-Mercapto-3-methylquinazolin-4(3H)-one structure
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Common Name | 2-Mercapto-3-methylquinazolin-4(3H)-one | ||
|---|---|---|---|---|
| CAS Number | 1705-09-5 | Molecular Weight | 192.23800 | |
| Density | 1.4 g/cm3 | Boiling Point | 324.6ºC at 760 mmHg | |
| Molecular Formula | C9H8N2OS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 150.1ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Mercapto-3-methylquinazolin-4(3H)-one |
|---|---|
| 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 | 1.4 g/cm3 |
|---|---|
| Boiling Point | 324.6ºC at 760 mmHg |
| Molecular Formula | C9H8N2OS |
| Molecular Weight | 192.23800 |
| Flash Point | 150.1ºC |
| Exact Mass | 192.03600 |
| PSA | 69.88000 |
| LogP | 1.59610 |
| Vapour Pressure | 0.000243mmHg at 25°C |
| Index of Refraction | 1.707 |
| InChIKey | NVINMHFLRZHVKS-UHFFFAOYSA-N |
| SMILES | Cn1c(=S)[nH]c2ccccc2c1=O |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933990090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
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| DownStream 4 | |
CAS#:75-15-0
CAS#:118988-18-4
CAS#:13621-47-1
CAS#:118-92-3
CAS#:106130-36-3
CAS#:16353-02-9
CAS#:556-61-6
CAS#:134-20-3
CAS#:28144-70-9
CAS#:607-19-2
CAS#:15949-47-0
CAS#:61507-80-0![1-MERCAPTO-4-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE structure](https://image.chemsrc.com/caspic/370/127570-96-1.png)
CAS#:127570-96-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. 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.
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Name: Inhibition of MAO-A in rat liver homogenate after 60 mins by Lineweaver-Burke plot
Source: ChEMBL
Target: Amine oxidase [flavin-containing] A
External Id: CHEMBL997740
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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Name: Inhibition of MAO-B in rat liver homogenate after 60 mins by Lineweaver-Burke plot
Source: ChEMBL
Target: Amine oxidase [flavin-containing] B
External Id: CHEMBL997737
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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
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Name: Inhibition of PDE3A in human platelet assessed as hydrolysis of [3H]cAMP to [3H]AMP a...
Source: ChEMBL
Target: cGMP-inhibited 3',5'-cyclic phosphodiesterase A
External Id: CHEMBL995880
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Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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Name: Inhibition of human recombinant PDE7A expressed in Saccharomyces cerevisiae assessed ...
Source: ChEMBL
Target: High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
External Id: CHEMBL995879
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Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-methyl-2-sulfanylidene-1H-quinazolin-4-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 2-Mercapto-3-methylquinazolin-4(3H)-one? |
| A: Boiling point of 2-Mercapto-3-methylquinazolin-4(3H)-one is 324.6ºC at 760 mmHg. |
| Q: What English synonyms does 2-Mercapto-3-methylquinazolin-4(3H)-one have? |
| A: English synonyms of 2-Mercapto-3-methylquinazolin-4(3H)-one: 3-methyl-2-sulfanylidene-1H-quinazolin-4-one. |
| Q: What is the SMILES notation of 2-Mercapto-3-methylquinazolin-4(3H)-one? |
| A: SMILES notation of 2-Mercapto-3-methylquinazolin-4(3H)-one is Cn1c(=S)[nH]c2ccccc2c1=O. |
| Q: What is the polar surface area (PSA) of 2-Mercapto-3-methylquinazolin-4(3H)-one? |
| A: Polar surface area (PSA) of 2-Mercapto-3-methylquinazolin-4(3H)-one is 69.88000. |
| Q: What is the molecular formula of 2-Mercapto-3-methylquinazolin-4(3H)-one? |
| A: Molecular formula of 2-Mercapto-3-methylquinazolin-4(3H)-one is C9H8N2OS. |
| Q: What is the InChIKey of 2-Mercapto-3-methylquinazolin-4(3H)-one? |
| A: InChIKey of 2-Mercapto-3-methylquinazolin-4(3H)-one is NVINMHFLRZHVKS-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 2-Mercapto-3-methylquinazolin-4(3H)-one? |
| A: Molecular weight of 2-Mercapto-3-methylquinazolin-4(3H)-one is 192.23800. |
| Q: What are the downstream products of 2-Mercapto-3-methylquinazolin-4(3H)-one? |
| A: Related downstream products(CAS) of 2-Mercapto-3-methylquinazolin-4(3H)-one: 607-19-2;15949-47-0;61507-80-0;127570-96-1. |
| Q: What are the upstream materials of 2-Mercapto-3-methylquinazolin-4(3H)-one? |
| A: Related upstream materials(CAS) of 2-Mercapto-3-methylquinazolin-4(3H)-one: 75-15-0;118988-18-4;13621-47-1;118-92-3;106130-36-3;16353-02-9;556-61-6;134-20-3;28144-70-9. |
| Q: What is the CAS number of 2-Mercapto-3-methylquinazolin-4(3H)-one? |
| A: CAS number of 2-Mercapto-3-methylquinazolin-4(3H)-one is 1705-09-5. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |