Basic information
- CAS
5102-10-3- Standard SMILES
CC(N)C(C)c1c[nH]c2ccc(SCc3ccccc3)cc12- InChIKey
QTPKJXSZCGWIIV-UHFFFAOYSA-N- Molecular formula
- C19H22N2S
- Average molar mass
- 310.5 g/mol
- Monoisotopic mass
- 310.15036988
Names & identifiers
- Preferred name
- Indole, 3-(3-amino-2-butyl)-5-benzylthio-
- IUPAC
- 3-(5-benzylsulfanyl-1H-indol-3-yl)butan-2-amine
Names & synonyms
INDOLE, 3-(3-AMINO-2-BUTYL)-5-BENZYLTHIO-5102-10-3BRN 04222633-(2'-Aminobutyl-3')-5-benzylthioindoleDTXSID909652953-[5-(Benzylsulfanyl)-1H-indol-3-yl]butan-2-amine
Database identifiers
- CAS
5102-10-3- PubChem CID
- 21179
- DTXSID
DTXSID90965295
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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