Acetic acid, (phenylthio)-, 2-(dimethylamino)-1-methylethyl ester
Basic information
- CAS
35859-03-1- Standard SMILES
CC(CN(C)C)OC(=O)CSc1ccccc1- InChIKey
KBMNZFKXMZBZQO-UHFFFAOYSA-N- Molecular formula
- C13H19NO2S
- Average molar mass
- 253.36 g/mol
- Monoisotopic mass
- 253.11365002
Names & identifiers
- Preferred name
- Acetic acid, (phenylthio)-, 2-(dimethylamino)-1-methylethyl ester
- IUPAC
- 1-(dimethylamino)propan-2-yl 2-phenylsulfanylacetate
Names & synonyms
35859-03-1ACETIC ACID, (PHENYLTHIO)-, 2-(DIMETHYLAMINO)-1-METHYLETHYL ESTERRefChem:1075674(Phenylthio)acetic acid 2-(dimethylamino)-1-methylethyl esterBRN 2276037DTXSID009572671-(dimethylamino)propan-2-yl (phenylsulfanyl)acetate
Database identifiers
- CAS
35859-03-1- PubChem CID
- 37284
- DTXSID
DTXSID00957267
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 227
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Compound notes
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