CAS 4651-97-2 2-Amino-4-methylthiophene-3-carboxamide (HCID 293810)

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Basic information

CAS: 4651-97-2
Standard SMILES: Cc1csc(N)c1C(N)=O
InChIKey: AXLIJQRGPVJGSO-UHFFFAOYSA-N
Molecular formula: C6H8N2OS
Average molar mass: 156.21 g/mol
Monoisotopic mass: 156.03573388

Names & identifiers

Preferred name: 2-Amino-4-methylthiophene-3-carboxamide
IUPAC: 2-amino-4-methylthiophene-3-carboxamide
English name: 2-AMINO-4-METHYLTHIOPHENE-3-CARBOXAMIDE
Molecular formula: C6H8N2OS
Molecular weight: 156.21

Names & synonyms

2-amino-4-methylthiophene-3-carboxamideDTXSID00303765RefChem:464354DTXCID30254897675-653-34651-97-2MFCD000525942-Amino-4-methyl-3-thiophene carboxamide2-Amino-3-carbamoyl-4-methylthiophene3-Thiophenecarboxamide, 2-amino-4-methyl-NSC210726Maybridge1_003931

Show more names

NSC 210726NSC 160952

Oprea1_593008SCHEMBL944792orb3029869CHEMBL2313309HMS552K15AXLIJQRGPVJGSO-UHFFFAOYSA-NBUTTPARK 99\18-21Fr16646

Database identifiers

CAS: 4651-97-2
PubChem CID: 293810
DTXSID: DTXSID00303765
ChEMBL: CHEMBL2313309
EC Number: 675-653-3
Nikkaji: J265.528D

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 97.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 151

Physicochemical properties

Melting point: 172 °C · 172 °C
Boiling point: 277 ℃ · 277℃
Density: 1.344 · 1.344
Flash point: 121 ℃ · 121℃
storage temp.: 2 · 2-8°C
pka: 15.59 · 15.59±0.50(Predicted)
CAS DataBase Reference: 4651 · 4651-97-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36/37/39-24/25-22
Hazard Note: Irritant

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (28.6%)

Safety data

risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39-24/25-22
Hazard statements: H315-H319
Precautionary statements: P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313

Chemistry & industry

Applications

Uses2-amino-4-methylthiophene-3-carboxamide is a useful reactant for the synthesis of 2-(2,4-dihydroxyphenyl)thieno-1,3-thiazin-4-ones, a compound that has shown to have possible anticancer activity from in vitro studies.