Basic information
- CAS
5102-13-6- Standard SMILES
CSc1ccc2[nH]cc(CC(C)N(C)C)c2c1- InChIKey
YKQMBFQALWSRGC-UHFFFAOYSA-N- Molecular formula
- C14H20N2S
- Average molar mass
- 248.39 g/mol
- Monoisotopic mass
- 248.13471982
Names & identifiers
- Preferred name
- Indole, 3-(2-(dimethylamino)propyl)-5-methylthio-
- IUPAC
- N,N-dimethyl-1-(5-methylsulfanyl-1H-indol-3-yl)propan-2-amine
Names & synonyms
5102-13-6INDOLE, 3-(2-(DIMETHYLAMINO)PROPYL)-5-METHYLTHIO-RefChem:10873215-Methylthio-3-(2-dimethylaminopropyl)indoleBRN 0479235DTXSID10965297N,N-Dimethyl-1-[5-(methylsulfanyl)-1H-indol-3-yl]propan-2-amine
Database identifiers
- CAS
5102-13-6- PubChem CID
- 21182
- DTXSID
DTXSID10965297
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 44.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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