6-Methylsulfanyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Basic information
- CAS
104996-59-0- Standard SMILES
CSc1ccc2[nH]c3c(c2c1)CCNC3=O- InChIKey
PJPPMOQAKFKPKH-UHFFFAOYSA-N- Molecular formula
- C12H12N2OS
- Average molar mass
- 232.3 g/mol
- Monoisotopic mass
- 232.06703418
Names & identifiers
- Preferred name
- 6-Methylsulfanyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
- IUPAC
- 6-methylsulfanyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Names & synonyms
104996-59-0DTXSID4011820212,3,4,9-Tetrahydro-6-(methylthio)-1H-pyrido[3,4-b]indol-1-one6-(Methylsulfanyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one
Database identifiers
- CAS
104996-59-0- PubChem CID
- 10243033
- DTXSID
DTXSID401182021
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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