Basic information
- CAS
17612-90-7- Standard SMILES
[Cl-].[NH3+]CCSC(=O)c1ccccc1- InChIKey
ZGDMMDVDODBJGR-UHFFFAOYSA-N- Molecular formula
- C9H12ClNOS
- Average molar mass
- 217.72 g/mol
- Monoisotopic mass
- 217.0328129
Names & identifiers
- Preferred name
- Benzoic acid, thio-, S-2-aminoethyl ester, hydrochloride
- IUPAC
- 2-benzoylsulfanylethylazanium chloride
Names & synonyms
BENZOIC ACID, THIO-, S-2-AMINOETHYL ESTER, HYDROCHLORIDERefChem:107933217612-90-7Thiobenzoic acid S-2-aminoethyl ester hydrochloride2-benzoylsulfanylethylazanium;chlorideAI3-52529S-Benzoyl-2-mercaptoethylamine hydrochlorideBenzenecarbothioic acid, S-(2-aminoethyl) ester, hydrochloride
Database identifiers
- CAS
17612-90-7- PubChem CID
- 28640
Properties
Computed structural properties
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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