Basic information
- CAS
62268-32-0- Standard SMILES
CC(CCO)NC1=C(Cl)S(=O)(=O)c2ccccc21- InChIKey
KIWONXWDFBXMMV-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO3S
- Average molar mass
- 287.76 g/mol
- Monoisotopic mass
- 287.0382922
Names & identifiers
- Preferred name
- Butanol, 3-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide
- IUPAC
- 3-[(2-chloro-1,1-dioxo-1-benzothiophen-3-yl)amino]butan-1-ol
Names & synonyms
BRN 13840803-((2-Chloro-3-benzothienyl)amino)butanol S,S,-dioxide62268-32-0BUTANOL, 3-((2-CHLORO-3-BENZO(b)THIENYL)AMINO)-, S,S-DIOXIDERefChem:330938DTXSID509778342-Chloro-3-[(4-hydroxybutan-2-yl)amino]-1H-1-benzothiophene-1,1-dione2-Chloro-3-[(4-hydroxybutan-2-yl)amino]-1H-1lambda~6~-benzothiophene-1,1-dione
Database identifiers
- CAS
62268-32-0- PubChem CID
- 43971
- DTXSID
DTXSID50977834
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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