Basic information
- CAS
101832-80-8- Standard SMILES
CC(CN)c1c[nH]c2ccc(SCc3ccccc3)cc12- InChIKey
UAMWVVOYWYXBJA-UHFFFAOYSA-N- Molecular formula
- C18H20N2S
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.13471982
Names & identifiers
- Preferred name
- Indole, 3-(1-amino-2-propyl)-5-benzylthio-
- IUPAC
- 2-(5-benzylsulfanyl-1H-indol-3-yl)propan-1-amine
Names & synonyms
BRN 04197183-(Aminopropyl-2')-5-benzylthioindoleINDOLE, 3-(1-AMINO-2-PROPYL)-5-BENZYLTHIO-101832-80-85-22-12-00092 (Beilstein Handbook Reference)RefChem:349194DTXSID209067172-[5-(benzylsulfanyl)-1H-indol-3-yl]propan-1-amine
Database identifiers
- CAS
101832-80-8- PubChem CID
- 59010
- DTXSID
DTXSID20906717
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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