Basic information
- CAS
101832-84-2- Standard SMILES
CSc1ccc2[nH]cc(C(C)CN)c2c1- InChIKey
YFWHLMAYUIYLTO-UHFFFAOYSA-N- Molecular formula
- C12H16N2S
- Average molar mass
- 220.34 g/mol
- Monoisotopic mass
- 220.10341969
Names & identifiers
- Preferred name
- Indole, 3-(1-amino-2-propyl)-5-methylthio-
- IUPAC
- 2-(5-methylsulfanyl-1H-indol-3-yl)propan-1-amine
Names & synonyms
101832-84-2BRN 03968453-(Aminopropyl-2')-5-methylthioindoleINDOLE, 3-(1-AMINO-2-PROPYL)-5-METHYLTHIO-DTXSID109067212-[5-(METHYLSULFANYL)-1H-INDOL-3-YL]PROPAN-1-AMINE
Database identifiers
- CAS
101832-84-2- PubChem CID
- 59016
- DTXSID
DTXSID10906721
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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