Basic information
- CAS
35859-19-9- Standard SMILES
CN(C)CCOC(=O)CSc1ccccc1.Cl- InChIKey
ZHGAAFFSRSHDDA-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO2S
- Average molar mass
- 275.8 g/mol
- Monoisotopic mass
- 275.0746777
Names & identifiers
- Preferred name
- 2-(Dimethylamino)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1)
- IUPAC
- 2-(dimethylamino)ethyl 2-phenylsulfanylacetate;hydrochloride
Names & synonyms
35859-19-9DTXSID209572692-(Dimethylamino)ethyl (phenylsulfanyl)acetate--hydrogen chloride (1/1)RefChem:1061776DTXCID4013852112-(Dimethylamino)ethyl (phenylthio)acetate hydrochlorideAcetic acid, (phenylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride
Database identifiers
- CAS
35859-19-9- PubChem CID
- 215570
- DTXSID
DTXSID20957269
Properties
Computed structural properties
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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