Basic information
- CAS
5564-15-8- Standard SMILES
CNCC(C)c1c[nH]c2ccc(SC)cc12- InChIKey
VDETXFOHSKOBTI-UHFFFAOYSA-N- Molecular formula
- C13H18N2S
- Average molar mass
- 234.36 g/mol
- Monoisotopic mass
- 234.11906976
Names & identifiers
- Preferred name
- Indole, 3-(1-methylamino-2-propyl)-5-methylthio-
- IUPAC
- N-methyl-2-(5-methylsulfanyl-1H-indol-3-yl)propan-1-amine
Names & synonyms
INDOLE, 3-(1-METHYLAMINO-2-PROPYL)-5-METHYLTHIO-5564-15-8BRN 03971463-(Methylaminopropyl-2')-5-methylthioindoleDTXSID10970982N-Methyl-2-[5-(methylsulfanyl)-1H-indol-3-yl]propan-1-amine
Database identifiers
- CAS
5564-15-8- PubChem CID
- 21729
- DTXSID
DTXSID10970982
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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