((2-Thienylcarbonyl)amino)acetic acid

HCID 679227

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Basic information

CAS: 33955-17-8
Standard SMILES: O=C(O)CNC(=O)c1cccs1
InChIKey: NXTJGIBOVGESBV-UHFFFAOYSA-N
Molecular formula: C7H7NO3S
Average molar mass: 185.2 g/mol
Monoisotopic mass: 185.01466408

Names & identifiers

Preferred name: ((2-Thienylcarbonyl)amino)acetic acid
IUPAC: 2-(thiophene-2-carbonylamino)acetic acid
English name: (Thiophene-2-carbonyl)-amino]-acetic acid
Molecular formula: C7H7NO3S
Molecular weight: 185.2

Names & synonyms

((2-THIENYLCARBONYL)AMINO)ACETIC ACIDRefChem:389763630-955-433955-17-8[(Thiophene-2-carbonyl)-amino]-acetic acid2-(thiophene-2-carboxamido)acetic acid2-(thiophene-2-carbonylamino)acetic acidMFCD007615972-(thiophen-2-ylformamido)acetic acid2-[(thiophen-2-yl)formamido]acetic acid[(thien-2-ylcarbonyl)amino]acetic acidN-(THIOPHENE-2-CARBONYL)GLYCINE

Show more names

(thiophene-2-carbonyl)glycineN-[(Thien-2-yl)carbonyl]glycineGlycine, N-(2-thienylcarbonyl)-

N-(thiophen-2-ylcarbonyl)glycine2-(2-thienylcarbonylamino)acetic acidN-(2-Thienylcarbonyl)glycine2-thenoylglycine2-(Thiophene-2-carboxamido)aceticacidEnamine_004987Oprea1_176127Oprea1_377405

Database identifiers

CAS: 33955-17-8
PubChem CID: 679227
DTXSID: DTXSID00350436
ChEMBL: CHEMBL455996
EC Number: 630-955-4
Nikkaji: J2.186.265G

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 94.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 195

Physicochemical properties

storage temp.: 2 · 2-8°C
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 300 · H300
Precautionary statements: 501 · P501-P270-P264-P301+P310+P330-P405

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS06
Hazard statements: H300
Precautionary statements: P501-P270-P264-P301+P310+P330-P405

Chemistry & industry

Applications

Uses2-(Thiophen-2-ylformamido)acetic Acid is a useful research chemical used in the preparation and substitution of 3-acylamino-6-polyfluoroalkyl-2H-pyran-2-ones.