2-Aminothiophene

HCID 97373CAS 616-46-6

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Basic information

Standard SMILES: Nc1cccs1
InChIKey: GLQWRXYOTXRDNH-UHFFFAOYSA-N
Molecular formula: C4H5NS
Average molar mass: 99.16 g/mol
Monoisotopic mass: 99.01427016

Names & identifiers

Preferred name: 2-Aminothiophene
IUPAC: thiophen-2-amine
English name: 2-Thiophenamine
Molecular formula: C4H5NS
Molecular weight: 99.15

Names & synonyms

2-Thiophenamine616-46-62-AMINOTHIOPHENEG9MN5C2AMDNSC-118942DTXSID40210601RefChem:1062262DTXCID30133092thiophen-2-amineaminothiophene2-THIENYLAMINEMFCD01210840

Show more names

thiophenine(2-Thienyl)amineThiophene-2-amineThiophen-2-ylaMine2-AMINOTHIOPHENE(RS20015184)2-THIOPHENAMINE ISO 9001：2015 REACH

ThiophenamineThienylamine2-aminothiophenthiophen-5-ylamineNSC 118942UNII-G9MN5C2AMD2-thiophenamine, AldrichCPRSCHEMBL19705

Database identifiers

CAS: 616-46-6
PubChem CID: 97373
DTXSID: DTXSID40210601
ChEMBL: CHEMBL4793820
UNII: G9MN5C2AMD
Nikkaji: J7.033E

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 54.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 46.8

Physicochemical properties

Melting point: 12 · 12-13 °C(Solv: hexane (110-54-3); dichloromethane (75-09-2))
Boiling point: 194.5 · 194.5±13.0 °C(Predicted)
Density: 1 · 1+-.0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka: 2.51 · 2.51±0.10(Predicted)
FDA UNII: 9 MN5C2AMD · G9MN5C2AMD
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22
HS Code: 2934999090 · 2934999090

Safety & regulation

Safety data

hs_code: 2934999090
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses2-Thiophenamine can be used in molecular heterocyclisation reactions for the preparation of novel thiophenes containing azole and nitrogen. N,N-Diphenyl-2-thiophenamine (DPTA) is an electron donor molecule used in photovoltaic devices such as organic solar cells and LEDs.