CAS 7133-90-6 2-Hydroxybenzenecarbothioamide (HCID 2759342)

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Basic information

CAS: 7133-90-6
Standard SMILES: NC(=S)c1ccccc1O
InChIKey: JFYIBFCXQUDFQE-UHFFFAOYSA-N
Molecular formula: C7H7NOS
Average molar mass: 153.2 g/mol
Monoisotopic mass: 153.02483484

Names & identifiers

Preferred name: 2-Hydroxybenzenecarbothioamide
IUPAC: 2-hydroxybenzenecarbothioamide
English name: 2-Hydroxy-thiobenzamide
Molecular formula: C7H7NOS
Molecular weight: 153.2

Names & synonyms

2-hydroxybenzene-1-carbothioamide2-HydroxybenzenecarbothioamideDTXSID501306876RefChem:473403DTXCID901736827674-700-52-Hydroxythiobenzamide7133-90-62-hydroxybenzothioamideThiosalicylamideSalicylamide, thio-2-Hydroxybenzothiamide

Show more names

thio-salicylamid2-HYDROXYTHIOBENZAMIDE 98%6-[amino(mercapto)methylidene]-1-cyclohexa-2,4-dienone

Benzenecarbothioamide,2-hydroxy-Febuxostat Impurity Z7MFCD01684561BRN 25739192-Hydroxy-thiobenzamideBenzenecarbothioamide, 2-hydroxy-2-(aminothioxomethyl)phenol0-10-00-00134 (Beilstein Handbook Reference)

Database identifiers

CAS: 7133-90-6
PubChem CID: 2759342
DTXSID: DTXSID501306876
EC Number: 674-700-5
Nikkaji: J2.052.682C

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 78.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 138

Physicochemical properties

Melting point: 119 °C · 119 °C
EWG's Food Scores: 1 · 1
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 331 · H331-H301-H311
Precautionary statements: 261 · P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (50%)

Safety data

risk_code: 36/37/38
Signal word: Danger
Symbol(GHS): GHS06
safety_code: 26-36/37/39
Hazard statements: H331-H301-H311
Precautionary statements: P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501