Basic information
- CAS
62268-34-2- Standard SMILES
NC(CO)CCNC1=C(Cl)S(=O)(=O)c2ccccc21- InChIKey
FBXZTWVAXBUETH-UHFFFAOYSA-N- Molecular formula
- C12H15ClN2O3S
- Average molar mass
- 302.78 g/mol
- Monoisotopic mass
- 302.0491912
Names & identifiers
- Preferred name
- Butanol, 2-amino-4-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide
- IUPAC
- 2-amino-4-[(2-chloro-1,1-dioxo-1-benzothiophen-3-yl)amino]butan-1-ol
Names & synonyms
BRN 13889382-Amino-4-((2-chloro-3-benzothienyl)amino)butanol S,S,-dioxide62268-34-2BUTANOL, 2-AMINO-4-((2-CHLORO-3-BENZO(b)THIENYL)AMINO)-, S,S-DIOXIDERefChem:330937DTXSID109778353-[(3-Amino-4-hydroxybutyl)amino]-2-chloro-1H-1-benzothiophene-1,1-dione3-[(3-Amino-4-hydroxybutyl)amino]-2-chloro-1H-1lambda~6~-benzothiophene-1,1-dione
Database identifiers
- CAS
62268-34-2- PubChem CID
- 43972
- DTXSID
DTXSID10977835
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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