Basic information
- Standard SMILES
COC(=O)C1Cc2c(n(C)c3ccccc23)CN1C(=S)SC- InChIKey
OSXIMSGJQBWTJJ-UHFFFAOYSA-N- Molecular formula
- C16H18N2O2S2
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.08097017
Names & identifiers
- Preferred name
- Methyl (3RS)-9-methyl-2-[(methylthio)thiocarbonyl]-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate
- IUPAC
- methyl 9-methyl-2-methylsulfanylcarbothioyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate
Names & synonyms
OSXIMSGJQBWTJJ-UHFFFAOYSA-NMethyl (3RS)-9-methyl-2-[(methylthio)thiocarbonyl]-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate
Database identifiers
- PubChem CID
- 13561990
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 459
Related reactions
2 records
Compound notes
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