Indole, 5-benzylthio-3-(2-(dimethylamino)propyl)-
Basic information
- CAS
5490-99-3- Standard SMILES
CC(Cc1c[nH]c2ccc(SCc3ccccc3)cc12)N(C)C- InChIKey
NMWUUAWMROORFP-UHFFFAOYSA-N- Molecular formula
- C20H24N2S
- Average molar mass
- 324.5 g/mol
- Monoisotopic mass
- 324.16601995
Names & identifiers
- Preferred name
- Indole, 5-benzylthio-3-(2-(dimethylamino)propyl)-
- IUPAC
- 1-(5-benzylsulfanyl-1H-indol-3-yl)-N,N-dimethylpropan-2-amine
Names & synonyms
5490-99-3INDOLE, 5-BENZYLTHIO-3-(2-(DIMETHYLAMINO)PROPYL)-RefChem:10873445-Benzylthio-3-(2-dimethylaminopropyl)indoleBRN 0424847DTXSID409702331-[5-(benzylsulfanyl)-1H-indol-3-yl]-N,N-dimethylpropan-2-amine
Database identifiers
- CAS
5490-99-3- PubChem CID
- 21659
- DTXSID
DTXSID40970233
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 44.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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