2 (3H)-Benzoxazolethione, 4-hydroxy

Modify Date: 2026-08-02 18:14:36

2 (3H)-Benzoxazolethione, 4-hydroxy Structure
2 (3H)-Benzoxazolethione, 4-hydroxy structure
Common Name 2 (3H)-Benzoxazolethione, 4-hydroxy
CAS Number 73713-92-5 Molecular Weight 167.18500
Density 1.61g/cm3 Boiling Point 290.2ºC at 760 mmHg
Molecular Formula C7H5NO2S Melting Point N/A
MSDS N/A Flash Point 129.3ºC

 Names

Name 4-hydroxy-3H-1,3-benzoxazole-2-thione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.61g/cm3
Boiling Point 290.2ºC at 760 mmHg
Molecular Formula C7H5NO2S
Molecular Weight 167.18500
Flash Point 129.3ºC
Exact Mass 167.00400
PSA 85.06000
LogP 1.82210
Index of Refraction 1.776
InChIKey VNDCJUYCWFLPPM-UHFFFAOYSA-N
SMILES Oc1cccc2oc(=S)[nH]c12
Storage condition 2-8°C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM4885000
CHEMICAL NAME :
2-Benzoxazolethiol, 4-hydroxy-
CAS REGISTRY NUMBER :
73713-92-5
BEILSTEIN REFERENCE NO. :
0131755
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H5-N-O2-S
MOLECULAR WEIGHT :
167.19
WISWESSER LINE NOTATION :
T56 BN DOJ CSH IQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01304

 Safety Information

HS Code 2934999090

 Synthetic Route

~58%

2 (3H)-Benzoxazolethione, 4-hydroxy Structure

2 (3H)-Benzoxaz...

CAS#:73713-92-5

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Literature: Rodgers, James D.; Shepard, Stacey; Arvanitis, Argyrios G.; Wang, Haisheng; Storace, Louis; Folmer, Beverly; Shao, Lixin; Zhu, Wenyu; Glenn, Joseph Patent: US2010/298334 A1, 2010 ; Location in patent: Page/Page column 120 ; US 20100298334 A1

~%

2 (3H)-Benzoxazolethione, 4-hydroxy Structure

2 (3H)-Benzoxaz...

CAS#:73713-92-5

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Literature: US2010/298334 A1, ; US 20100298334 A1

~%

2 (3H)-Benzoxazolethione, 4-hydroxy Structure

2 (3H)-Benzoxaz...

CAS#:73713-92-5

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Literature: Journal of Organic Chemistry, , vol. 19, p. 758,762, 765

~%

2 (3H)-Benzoxazolethione, 4-hydroxy Structure

2 (3H)-Benzoxaz...

CAS#:73713-92-5

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Literature: Journal of the Chemical Society, , vol. 125, p. 1704

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 2 (3H)-Benzoxazolethione, 4-hydroxyBioassay

View more

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: 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: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_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
Name: uHTS identification of small molecule modulators of NR3A
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: SBCCG-A1015-NR3A-Primary-Assay
Name: uHTS identification of small molecule modulators of Rev-erb Alpha.
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: SBCCG-A1016-RevErbaLBD-Primary-Assay
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 Synonyms

4-Hydroxy-3H-benzoxazol-2-thion
4-Hydroxy-2-benzoxazolethiol
2-BENZOXAZOLETHIOL,4-HYDROXY
WLN: T56 BN DOJ CSH IQ
4-hydroxy-3H-benzoxazole-2-thione
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