2-Aminothiophene
Basic information
- CAS
616-46-6- 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 Ų
- 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 information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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
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.
Upstream & downstream products
Upstream raw materials
Related reactions
15 records
Compound notes
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