Basic information
- CAS
5564-16-9- Standard SMILES
CSc1ccc2[nH]cc(C(C)C(C)N(C)C)c2c1- InChIKey
ZVZWJJZLJXRJEQ-UHFFFAOYSA-N- Molecular formula
- C15H22N2S
- Average molar mass
- 262.4 g/mol
- Monoisotopic mass
- 262.15036988
Names & identifiers
- Preferred name
- Indole, 3-(3-(dimethylamino)-2-butyl)-5-methylthio-
- IUPAC
- N,N-dimethyl-3-(5-methylsulfanyl-1H-indol-3-yl)butan-2-amine
Names & synonyms
BRN 0402795INDOLE, 3-(3-(DIMETHYLAMINO)-2-BUTYL)-5-METHYLTHIO-3-(2'-Dimethylaminobutyl-3')-5-methylthioindole5564-16-95-22-12-00101 (Beilstein Handbook Reference)RefChem:349242DTXSID70970983N,N-Dimethyl-3-[5-(methylsulfanyl)-1H-indol-3-yl]butan-2-amine
Database identifiers
- CAS
5564-16-9- PubChem CID
- 21730
- DTXSID
DTXSID70970983
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 44.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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