Benzenecarbothioamide, N-(2-(1H-indol-3-yl)ethyl)-

HCID 3038017

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Basic information

CAS: 10022-75-0
Standard SMILES: S=C(NCCc1c[nH]c2ccccc12)c1ccccc1
InChIKey: SEBJYQOWJZGGLP-UHFFFAOYSA-N
Molecular formula: C17H16N2S
Average molar mass: 280.4 g/mol
Monoisotopic mass: 280.10341969

Names & identifiers

Preferred name: Benzenecarbothioamide, N-(2-(1H-indol-3-yl)ethyl)-
IUPAC: N-[2-(1H-indol-3-yl)ethyl]benzenecarbothioamide

Names & synonyms

BRN 0410578Benzenecarbothioamide, N-(2-(1H-indol-3-yl)ethyl)-N-(2-(1H-Indol-3-yl)ethyl)benzenecarbothioamide10022-75-0DTXSID201430295-22-10-00081 (Beilstein Handbook Reference)N-[2-(1H-indol-3-yl)ethyl]benzenecarbothioamideRefChem:324434DTXCID9065520

Database identifiers

CAS: 10022-75-0
PubChem CID: 3038017
DTXSID: DTXSID20143029

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 59.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 325

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