Basic information
- CAS
189373-67-9- Standard SMILES
NC(=O)c1ccc2[nH]c3c(c2c1)CC(N=C=S)CC3- InChIKey
NNZDHQQQLUCCBQ-UHFFFAOYSA-N- Molecular formula
- C14H13N3OS
- Average molar mass
- 271.34 g/mol
- Monoisotopic mass
- 271.07793322
Names & identifiers
- Preferred name
- 2,3,4,9-Tetrahydro-3-isothiocyanato-1H-carbazole-6-carboxamide
- IUPAC
- 6-isothiocyanato-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
Names & synonyms
DTXSID2011768382,3,4,9-Tetrahydro-3-isothiocyanato-1H-carbazole-6-carboxamide3-Isothiocyanato-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide189373-67-9
Database identifiers
- CAS
189373-67-9- PubChem CID
- 85726558
- DTXSID
DTXSID201176838
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…