Cyclopropanecarbothioic acid, 1-phenyl-, S-(2-(diethylamino)ethyl) ester, hydrochloride

HCID 49707

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Basic information

CAS: 67239-15-0
Standard SMILES: CC[NH+](CC)CCSC(=O)C1(c2ccccc2)CC1.[Cl-]
InChIKey: OFGJGABBWLFNFM-UHFFFAOYSA-N
Molecular formula: C16H24ClNOS
Average molar mass: 313.9 g/mol
Monoisotopic mass: 313.1267133

Names & identifiers

Preferred name: Cyclopropanecarbothioic acid, 1-phenyl-, S-(2-(diethylamino)ethyl) ester, hydrochloride
IUPAC: diethyl-[2-(1-phenylcyclopropanecarbonyl)sulfanylethyl]azanium chloride

Names & synonyms

1-Phenylcyclopropanecarbothioic acid S-(2-(diethylamino)ethyl) ester hydrochloride67239-15-0Cyclopropanecarbothioic acid, 1-phenyl-, S-(2-(diethylamino)ethyl) ester, hydrochlorideRefChem:336198

Database identifiers

CAS: 67239-15-0
PubChem CID: 49707

Properties

Computed structural properties

Topological polar surface area: 46.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 20
Formal charge: 0
Complexity: 291

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