Basic information
- CAS
101832-75-1- Standard SMILES
CSc1ccc2[nH]cc(CC[NH3+])c2c1.[Cl-]- InChIKey
XMRXJUUTOSGVFP-UHFFFAOYSA-N- Molecular formula
- C11H15ClN2S
- Average molar mass
- 242.77 g/mol
- Monoisotopic mass
- 242.0644474
Names & identifiers
- Preferred name
- 1H-Indole-3-ethanamine, 5-(methylthio)-, hydrochloride (1:1)
- IUPAC
- 2-(5-methylsulfanyl-1H-indol-3-yl)ethylazanium chloride
Names & synonyms
101832-75-1RefChem:10582071H-Indole-3-ethanamine, 5-(methylthio)-, hydrochloride (1:1)5-Methylthiotryptamine hydrochlorideINDOLE, 3-(2-AMINOETHYL)-5-METHYLTHIO-, HYDROCHLORIDE
Database identifiers
- CAS
101832-75-1- PubChem CID
- 59004
Properties
Computed structural properties
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…