Basic information
- CAS
54235-69-7- Standard SMILES
O=C(Cl)C1SCCCS1- InChIKey
ZGTNKGNRQAXGKY-UHFFFAOYSA-N- Molecular formula
- C5H7ClOS2
- Average molar mass
- 182.7 g/mol
- Monoisotopic mass
- 181.96268452
Names & identifiers
- Preferred name
- 1,3-Dithiane-2-carbonyl chloride
- IUPAC
- 1,3-dithiane-2-carbonyl chloride
- English name
- 1,3-Dithiane-2-carbonyl chloride (9CI)
- Molecular formula
- C5H7ClOS2
- Molecular weight
- 182.69
Names & synonyms
1,3-DITHIANE-2-CARBONYL CHLORIDE54235-69-7DTXSID40481132RefChem:219141DTXCID10431942SCHEMBL800964ZGTNKGNRQAXGKY-UHFFFAOYSA-N1.3-dithiane-2-carboxylic acid chloride1,3-Dithiane-2-carbonyl chloride (9CI)
Database identifiers
- CAS
54235-69-7- PubChem CID
- 12222008
- DTXSID
DTXSID40481132
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 112
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
1 records
Compound notes
Loading…