Basic information
- CAS
39775-25-2- Standard SMILES
O=S1(=O)C(Cl)=C(N(CCO)CCO)c2ccccc21- InChIKey
KWMFCRLUUKAPBK-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO4S
- Average molar mass
- 303.76 g/mol
- Monoisotopic mass
- 303.0332068
Names & identifiers
- Preferred name
- Ethanol, 2,2'-((2-chloro-3-benzo(b)thienyl)imino)di-, S,S-dioxide
- IUPAC
- 2-[(2-chloro-1,1-dioxo-1-benzothiophen-3-yl)-(2-hydroxyethyl)amino]ethanol
Names & synonyms
BRN 081201539775-25-2Ethanol, 2,2'-((2-chloro-3-benzo(b)thienyl)imino)di-, S,S-dioxide2,2'-((2-Chloro-3-benzothienyl)imino)diethanol S,S-dioxideDTXSID00192853RefChem:340667DTXCID401153443-[Bis(2-hydroxyethyl)amino]-2-chloro-1H-1lambda~6~-benzothiophene-1,1-dione
Database identifiers
- CAS
39775-25-2- PubChem CID
- 217869
- DTXSID
DTXSID00192853
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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