7-methyl-2,3,4,10a-tetrahydro-1H-thiochromeno[2,3-c]pyridine
Basic information
- CAS
802306-49-6- Standard SMILES
Cc1ccc2c(c1)C=C1CCNCC1S2- InChIKey
FJDZQQFLQFEFFD-UHFFFAOYSA-N- Molecular formula
- C13H15NS
- Average molar mass
- 217.33 g/mol
- Monoisotopic mass
- 217.09252066
Names & identifiers
- Preferred name
- 7-methyl-2,3,4,10a-tetrahydro-1H-thiochromeno[2,3-c]pyridine
- IUPAC
- 7-methyl-2,3,4,10a-tetrahydro-1H-thiochromeno[2,3-c]pyridine
- English name
- 2H-[1]Benzothiopyrano[2,3-c]pyridine,1,3,4,10a-tetrahydro-7-methyl-(8CI)
- Molecular formula
- C13H15NS
- Molecular weight
- 217.33
Names & synonyms
2H-[1]Benzothiopyrano[2,3-c]pyridine, 1,3,4,10a-tetrahydro-7-methyl-2H-[1]Benzothiopyrano[2,3-c]pyridine,1,3,4,10a-tetrahydro-7-methyl-(8CI)
Database identifiers
- CAS
802306-49-6- PubChem CID
- 131859812
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
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Compound notes
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