Thiophen-2-acetamide

HCID 78208

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Basic information

CAS: 4461-29-4
Standard SMILES: NC(=O)Cc1cccs1
InChIKey: UUPZTFTUZUQRQT-UHFFFAOYSA-N
Molecular formula: C6H7NOS
Average molar mass: 141.19 g/mol
Monoisotopic mass: 141.02483484

Names & identifiers

Preferred name: Thiophen-2-acetamide
IUPAC: 2-thiophen-2-ylacetamide
English name: Thiophene-2-acetamide
Molecular formula: C6H7NOS
Molecular weight: 141.19

Names & synonyms

4461-29-42-(thiophen-2-yl)acetamide2-ThiopheneacetamideThiophen-2-acetamide2-THIENYLACETAMIDECP6UEJ81DKDTXSID70196247EINECS 224-714-9RefChem:897872DTXCID80118738224-714-9THIOPHENE-2-ACETAMIDE

Show more names

2-ThiophenacetamideCefoxitin Impurity 32Cefoxitin Impurity 392-thiophen-2-ylethanamide

2-(2-thienyl)acetamide2-thiophen-2-ylacetamideMFCD00017556thiolacet-amide2-thiophen-2-yl-acetamide2-Thienylacetamide;SS-3258SY204608

Database identifiers

CAS: 4461-29-4
PubChem CID: 78208
DTXSID: DTXSID70196247
UNII: CP6UEJ81DK
EC Number: 224-714-9
Nikkaji: J25.373A

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 71.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 116

Experimental & physicochemical properties

LogP0.33

Physicochemical properties

Melting point: 145 °C · 145°C
Boiling point: 327 · 327.0±25.0 °C(Predicted)
Density: 1.254 · 1.254±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Slightly, Sonicated), Methanol (Slightly)
form: Solid
pka: 16.15 · 16.15±0.40(Predicted)
color: White to Off-White
BRN: 114558 · 114558
FDA UNII: 6 UEJ81DK · CP6UEJ81DK
Symbol(GHS): 6 · GHS06
Signal word: Warning
Hazard statements: 301 · H301
Precautionary statements: 264 · P264-P270-P301+P310a-P321-P405-P501a
Risk Statements: 22 · 22
Safety Statements: 26 · 26-36/37/39
HS Code: 2933299090 · 2933299090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (90.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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 (90.5%)

Safety data

hs_code: 2933299090
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS06
safety_code: 26-36/37/39
Hazard statements: H301
Precautionary statements: P264-P270-P301+P310a-P321-P405-P501a

Chemistry & industry

Applications

Uses2-(Thiophen-2-yl)acetamide is used in preparation of [18F]Maleimide-based Glycogen synthase kinase-3β ligands for positron emission tomography imaging.