7-(Methylsulfanyl)-9-oxo-9H-xanthene-3-carbonyl chloride
Basic information
- CAS
89216-99-9- Standard SMILES
CSc1ccc2oc3cc(C(=O)Cl)ccc3c(=O)c2c1- InChIKey
CVYHVZIBUDGKHK-UHFFFAOYSA-N- Molecular formula
- C15H9ClO3S
- Average molar mass
- 304.7 g/mol
- Monoisotopic mass
- 303.996093
Names & identifiers
- Preferred name
- 7-(Methylsulfanyl)-9-oxo-9H-xanthene-3-carbonyl chloride
- IUPAC
- 7-methylsulfanyl-9-oxoxanthene-3-carbonyl chloride
Names & synonyms
89216-99-9DTXSID007524317-(METHYLSULFANYL)-9-OXO-9H-XANTHENE-3-CARBONYL CHLORIDE
Database identifiers
- CAS
89216-99-9- PubChem CID
- 71322788
- DTXSID
DTXSID00752431
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 414
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Compound notes
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