Methyl 2-amino-5-phenylthiophene-3-carboxylate

HCID 705256CAS 61325-02-8

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)c1cc(-c2ccccc2)sc1N
InChIKey: QKYRXLPXSJZIQM-UHFFFAOYSA-N
Molecular formula: C12H11NO2S
Average molar mass: 233.29 g/mol
Monoisotopic mass: 233.05104959

Names & identifiers

Preferred name: Methyl 2-amino-5-phenylthiophene-3-carboxylate
IUPAC: methyl 2-amino-5-phenylthiophene-3-carboxylate
English name: METHYL 2-AMINO-5-PHENYLTHIOPHENE-3-CARBOXYLATE
Molecular formula: C12H11NO2S
Molecular weight: 233.29

Names & synonyms

methyl 2-amino-5-phenylthiophene-3-carboxylate61325-02-8DTXSID80351623RefChem:354069DTXCID70302689MFCD020909362-Amino-5-phenyl-thiophene-3-carboxylic acid methyl estermethyl 2-amino-5-phenyl-thiophene-3-carboxylate2-Amino-5-phenylthiophene-3-carboxylic acid methyl estermethyl 2-amino-5-phenyl-3-thiophenecarboxylateMethyl2-Amino-5-Phenylthiophene-3-CarboxylateOprea1_082612

Show more names

METHYL 2-AMINO-5-PHENYLTHIOPHENE-3-CARBOXYLATMethyl 2-amino-5-phenylthiophene-3-carboxylate ,99%2-amino-5-phenyl-3-thiophenecarboxylic acid methyl ester3-Thiophenecarboxylic acid, 2-aMino-5-phenyl-, Methyl estermethyl 2-amino-5-phenylthiophene-3-carboxylate(SALTDATA: FREE)

MLS000528771SCHEMBL1563613CHEMBL1389689QKYRXLPXSJZIQM-UHFFFAOYSA-NHMS1691F18HMS2345P24ALBB-001959BBL016138

Database identifiers

CAS: 61325-02-8
PubChem CID: 705256
DTXSID: DTXSID80351623
ChEMBL: CHEMBL1389689
EC Number: 672-044-4
Nikkaji: J784.974E

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 80.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 253

Physicochemical properties

Melting point: 195 ° · 195°
storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 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. 4 (50%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P