Basic information
- CAS
77248-66-9- Standard SMILES
CSc1ccc2[nH]cc(C3=CC[NH2+]CC3)c2c1.[Cl-]- InChIKey
LWUTUIGRZHGJDW-UHFFFAOYSA-N- Molecular formula
- C14H17ClN2S
- Average molar mass
- 280.8 g/mol
- Monoisotopic mass
- 280.0800974
Names & identifiers
- Preferred name
- 5-(Methylsulfanyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole--hydrogen chloride (1/1)
- IUPAC
- 5-methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-1H-indole chloride
Names & synonyms
77248-66-9DTXSID809984965-(Methylsulfanyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole--hydrogen chloride (1/1)RefChem:1072569DTXCID1014254845-(Methylthio)-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole hydrochloride1H-INDOLE, 5-(METHYLTHIO)-3-(1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-, MONOHYDROCHLORIDE
Database identifiers
- CAS
77248-66-9- PubChem CID
- 53634
Properties
Computed structural properties
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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