4-Oxo-4H-thiopyran-3-carbonyl chloride
Basic information
- CAS
51727-16-3- Standard SMILES
O=C(Cl)c1csccc1=O- InChIKey
FZQLPYNVCOAXGE-UHFFFAOYSA-N- Molecular formula
- C6H3ClO2S
- Average molar mass
- 174.61 g/mol
- Monoisotopic mass
- 173.9542282
Names & identifiers
- Preferred name
- 4-Oxo-4H-thiopyran-3-carbonyl chloride
- IUPAC
- 4-oxothiopyran-3-carbonyl chloride
- English name
- 4H-Thiopyran-3-carbonyl chloride, 4-oxo- (9CI)
- Molecular formula
- C6H3ClO2S
- Molecular weight
- 174.6
Names & synonyms
51727-16-34-OXO-4H-THIOPYRAN-3-CARBONYL CHLORIDESCHEMBL11230965DTXSID406086454H-Thiopyran-3-carbonyl chloride, 4-oxo-DB-2725494H-Thiopyran-3-carbonyl chloride, 4-oxo- (9CI)
Database identifiers
- CAS
51727-16-3- PubChem CID
- 20554658
- DTXSID
DTXSID40608645
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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