Basic information
- Standard SMILES
CCCC[C@H]1c2[nH]c3ccccc3c2C[C@@H](CO)N1C(=S)SC- InChIKey
PKKSTQADAITZPN-LRDDRELGSA-N- Molecular formula
- C18H24N2OS2
- Average molar mass
- 348.5 g/mol
Names & identifiers
- Preferred name
- Methyl (1RS, 3RS)-cis-1-butyl-3-hydroxymethyl-1,2,3,4-tetrahydro-beta-carboline-2-carbodithioate
- IUPAC
- methyl (1S,3S)-1-butyl-3-(hydroxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate
Names & synonyms
PKKSTQADAITZPN-LRDDRELGSA-NMethyl (1RS, 3RS)-cis-1-butyl-3-hydroxymethyl-1,2,3,4-tetrahydro-beta-carboline-2-carbodithioate
Database identifiers
- PubChem CID
- 86741007
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 420
Related reactions
1 records
Compound notes
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