Basic information
- CAS
86456-00-0- Standard SMILES
COc1ccc2sc3cc(Cl)ccc3c(=O)c2c1- InChIKey
JIXBMLPFMLMPBZ-UHFFFAOYSA-N- Molecular formula
- C14H9ClO2S
- Average molar mass
- 276.7 g/mol
- Monoisotopic mass
- 276.0011784
Names & identifiers
- Preferred name
- 6-Chloro-2-methoxy-9H-thioxanthen-9-one
- IUPAC
- 6-chloro-2-methoxythioxanthen-9-one
Names & synonyms
86456-00-0NSC3753886-CHLORO-2-METHOXY-9H-THIOXANTHEN-9-ONESCHEMBL6556601DTXSID20321441NSC-375388
Database identifiers
- CAS
86456-00-0- PubChem CID
- 341817
- DTXSID
DTXSID20321441
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…