Basic information
- CAS
13896-98-5- Standard SMILES
CC(=O)CSc1nc2ccccc2c2ccccc12- InChIKey
NCJVVJWBMVXPIT-UHFFFAOYSA-N- Molecular formula
- C16H13NOS
- Average molar mass
- 267.3 g/mol
- Monoisotopic mass
- 267.07178521
Names & identifiers
- Preferred name
- 1-Phenanthridin-6-ylthioacetone
- IUPAC
- 1-phenanthridin-6-ylsulfanylpropan-2-one
Names & synonyms
13896-98-5NSC1320741-phenanthridin-6-ylthioacetoneDTXSID90299683AKOS024382962NSC-132074ST510319901-[(Phenanthridin-6-yl)sulfanyl]propan-2-one
Database identifiers
- CAS
13896-98-5- PubChem CID
- 280443
- DTXSID
DTXSID90299683
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…