Indole, 3-(2-amino-1-propyl)-5-methylthio-
Basic information
- CAS
5102-06-7- Standard SMILES
CSc1ccc2[nH]cc(CC(C)N)c2c1- InChIKey
FMZDOOIQHHJMJP-UHFFFAOYSA-N- Molecular formula
- C12H16N2S
- Average molar mass
- 220.34 g/mol
- Monoisotopic mass
- 220.10341969
Names & identifiers
- Preferred name
- Indole, 3-(2-amino-1-propyl)-5-methylthio-
- IUPAC
- 1-(5-methylsulfanyl-1H-indol-3-yl)propan-2-amine
Names & synonyms
5102-06-7INDOLE, 3-(2-AMINO-1-PROPYL)-5-METHYLTHIO-RefChem:10873263-(2-Aminopropyl)-5-methylthioindoleBRN 03962093-(2-Amino-1-propyl)-5-(methylthio)indoleDTXSID309652941-[5-(methylsulfanyl)-1H-indol-3-yl]propan-2-amine
Database identifiers
- CAS
5102-06-7- PubChem CID
- 21178
- DTXSID
DTXSID30965294
Properties
Computed structural properties
- XLogP
- 1.5
- 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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