Basic information
- CAS
108488-43-3- Standard SMILES
CCN(CC)CCOC(=S)c1ccccc1.Cl- InChIKey
WJSMFPBTGWLQSR-UHFFFAOYSA-N- Molecular formula
- C13H20ClNOS
- Average molar mass
- 273.82 g/mol
- Monoisotopic mass
- 273.0954131
Names & identifiers
- Preferred name
- Benzoic acid, thio-, O-2-(diethylamino)ethyl ester, hydrochloride
- IUPAC
- O-[2-(diethylamino)ethyl] benzenecarbothioate;hydrochloride
Names & synonyms
Thiobenzoic acid O-2-(diethylamino)ethyl ester hydrochlorideBENZOIC ACID, THIO-, O-2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE108488-43-3DTXSID70148569RefChem:327963DTXCID3071060O-[2-(Diethylamino)ethyl] benzenecarbothioate--hydrogen chloride (1/1)
Database identifiers
- CAS
108488-43-3- PubChem CID
- 60253
- DTXSID
DTXSID70148569
Properties
Computed structural properties
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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