Indole, 3-(2-(methylamino)ethyl)-5-methylthio-

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Basic information

CAS: 5564-19-2
Standard SMILES: CNCCc1c[nH]c2ccc(SC)cc12
InChIKey: UBJRTHZEVNGZKP-UHFFFAOYSA-N
Molecular formula: C12H16N2S
Average molar mass: 220.34 g/mol
Monoisotopic mass: 220.10341969

Names & identifiers

Preferred name: Indole, 3-(2-(methylamino)ethyl)-5-methylthio-
IUPAC: N-methyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine

Names & synonyms

BRN 0394069INDOLE, 3-(2-(METHYLAMINO)ETHYL)-5-METHYLTHIO-5564-19-23-(2-N-Methylaminoethyl)-5-methylthioindoleDTXSID502041725-22-12-00065 (Beilstein Handbook Reference)RefChem:349221DTXCID50126663N-Methyl-2-[5-(methylsulfanyl)-1H-indol-3-yl]ethan-1-amine

Database identifiers

CAS: 5564-19-2
PubChem CID: 21731
DTXSID: DTXSID50204172

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 53.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 198

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