Basic information
- CAS
105892-09-9- Standard SMILES
CN(C)CCO.O=C(O)CSc1ccc(Cl)cc1- InChIKey
WBCTXKQLKAYFAQ-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO3S
- Average molar mass
- 291.79 g/mol
- Monoisotopic mass
- 291.0695923
Names & identifiers
- Preferred name
- Acetic acid, ((4-chlorophenyl)thio)-, 2-(dimethylamino)ethanol (1:1)
- IUPAC
- 2-(4-chlorophenyl)sulfanylacetic acid;2-(dimethylamino)ethanol
Names & synonyms
105892-09-9((4-Chlorophenyl)thio)acetic acid 2-(dimethylamino)ethanol (1:1)ACETIC ACID, ((4-CHLOROPHENYL)THIO)-, 2-(DIMETHYLAMINO)ETHANOL (1:1)DTXSID80147402RefChem:315972DTXCID9069893[(4-Chlorophenyl)sulfanyl]acetic acid--2-(dimethylamino)ethan-1-ol (1/1)
Database identifiers
- CAS
105892-09-9- PubChem CID
- 60040
- DTXSID
DTXSID80147402
Properties
Computed structural properties
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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