Basic information
- CAS
39775-24-1- Standard SMILES
O=S1(=O)C(Cl)=C(NCCO)c2ccccc21- InChIKey
ZWPBBNYLOBXNLX-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO3S
- Average molar mass
- 259.71 g/mol
- Monoisotopic mass
- 259.006992
Names & identifiers
- Preferred name
- Ethanol, 2-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide
- IUPAC
- 2-[(2-chloro-1,1-dioxo-1-benzothiophen-3-yl)amino]ethanol
Names & synonyms
BRN 079613939775-24-1Ethanol, 2-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide2-((2-Chloro-3-benzothienyl)amino)ethanol S,S-dioxideDTXSID40192852RefChem:340766DTXCID801153432-Chloro-3-[(2-hydroxyethyl)amino]-1H-1lambda~6~-benzothiophene-1,1-dione
Database identifiers
- CAS
39775-24-1- PubChem CID
- 217868
- DTXSID
DTXSID40192852
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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