Basic information
- CAS
6469-87-0- Standard SMILES
O=c1c2ccccc2sc2cc(Cl)ccc12- InChIKey
WIRJDTJTGNEUAF-UHFFFAOYSA-N- Molecular formula
- C13H7ClOS
- Average molar mass
- 246.71 g/mol
- Monoisotopic mass
- 245.9906137
Names & identifiers
- Preferred name
- 3-Chloro-9H-thioxanthen-9-one
- IUPAC
- 3-chlorothioxanthen-9-one
- English name
- 3-chloro-9H-thioxanthen-9-one
- Molecular formula
- C13H7ClOS
- Molecular weight
- 246.71
Names & synonyms
3-Chloro-9H-thioxanthen-9-one6469-87-03-chlorothioxanthen-9-oneEINECS 229-288-89H-Thioxanthen-9-one, 3-chloro-3-chlorothioxanthenoneSCHEMBL1155667DTXSID90214992WIRJDTJTGNEUAF-UHFFFAOYSA-NNS00035734
Database identifiers
- CAS
6469-87-0- PubChem CID
- 80943
- DTXSID
DTXSID90214992- EC Number
- 229-288-8
- Nikkaji
- J225.136A
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Melting point
- 168 · 168-172 °C
- Boiling point
- 407.9 · 407.9±44.0 °C(Predicted)
- Density
- 1.417 · 1.417±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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