Basic information
- CAS
183677-02-3- Standard SMILES
Nc1ccsc1-c1ccc(Br)cc1- InChIKey
XADIYHKPWWJZID-UHFFFAOYSA-N- Molecular formula
- C10H8BrNS
- Average molar mass
- 254.15 g/mol
- Monoisotopic mass
- 252.95608
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)thiophen-3-amine
- IUPAC
- 2-(4-bromophenyl)thiophen-3-amine
- English name
- 2-(4-bromophenyl)thiophen-3-amine
- Molecular formula
- C10H8BrNS
- Molecular weight
- 254.15
Names & synonyms
2-(4-BROMOPHENYL)THIOPHEN-3-AMINE183677-02-32-(4-bromo-phenyl)-thiophen-3-yl amineSCHEMBL3128189DTXSID30697927XADIYHKPWWJZID-UHFFFAOYSA-N2-(4-bromophenyl)-3-thienylamine2-(4-Bromo-phenyl)-thiophen-3-ylamine2-(4-bromo-phenyl)-thiophene-3-ylamine2-(4-bromophenyl)-3-thiophenamine3-ThiophenaMine, 2-(4-broMophenyl)-2-(4-bromophenyl)thiophen-3-amine hydrochloride
Database identifiers
- CAS
183677-02-3- PubChem CID
- 53421999
- DTXSID
DTXSID30697927
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 384 · 384.0±27.0 °C(Predicted)
- Density
- 1.562 · 1.562±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.46 · 3.46±0.10(Predicted)
- 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
Chemistry & industry
Suppliers2 total
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
上海旭仁化学科技有限公司021-31007982 18019432809 · [email protected]
Related reactions
10 records
Compound notes
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