Indole, 1-acetyl-3-(2-amino-1-benzylthioethyl)-, hydrochloride

HCID 37299

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Basic information

CAS: 35891-42-0
Standard SMILES: CC(=O)n1cc(C(C[NH3+])SCc2ccccc2)c2ccccc21.[Cl-]
InChIKey: XQHXTHJJCBXZLB-UHFFFAOYSA-N
Molecular formula: C19H21ClN2OS
Average molar mass: 360.9 g/mol
Monoisotopic mass: 360.1063122

Names & identifiers

Preferred name: Indole, 1-acetyl-3-(2-amino-1-benzylthioethyl)-, hydrochloride
IUPAC: [2-(1-acetylindol-3-yl)-2-benzylsulfanylethyl]azanium chloride

Names & synonyms

INDOLE, 1-ACETYL-3-(2-AMINO-1-BENZYLTHIOETHYL)-, HYDROCHLORIDE1-Benzylmercapto-1-(1'-acetyl-3'-indolyl)-2-aminoethane hydrochloride35891-42-0RefChem:349152

Database identifiers

CAS: 35891-42-0
PubChem CID: 37299

Properties

Computed structural properties

Topological polar surface area: 74.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 397

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