Basic information
- CAS
1282168-23-3- Standard SMILES
O=C(O)c1cccc(Sc2cccc(Br)c2)n1- InChIKey
YBXNVLMOGCIQDQ-UHFFFAOYSA-N- Molecular formula
- C12H8BrNO2S
- Average molar mass
- 310.17 g/mol
- Monoisotopic mass
- 308.94591
Names & identifiers
- Preferred name
- 6-[(3-Bromophenyl)sulfanyl]pyridine-2-carboxylic acid
- IUPAC
- 6-(3-bromophenyl)sulfanylpyridine-2-carboxylic acid
- English name
- 6-[(3-bromophenyl)sulfanyl]pyridine-2-carboxylic acid
- Molecular formula
- C12H8BrNO2S
- Molecular weight
- 310.17
Names & synonyms
6-[(3-bromophenyl)sulfanyl]pyridine-2-carboxylic acid1282168-23-36-(3-bromophenyl)sulfanylpyridine-2-carboxylic acidHBC16823AKOS008152336EN300-850926-[(3-bromophenyl)sulfanyl]pyridine-2-carboxylicacidZ10208198902-Pyridinecarboxylic acid, 6-[(3-bromophenyl)thio]-
Database identifiers
- CAS
1282168-23-3- PubChem CID
- 54595082
- EC Number
- 191-554-3
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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