2-Methyl-1,3-dithiane-2-carbonyl chloride
Basic information
- CAS
64714-84-7- Standard SMILES
CC1(C(=O)Cl)SCCCS1- InChIKey
YROFZXAGODCZQS-UHFFFAOYSA-N- Molecular formula
- C6H9ClOS2
- Average molar mass
- 196.7 g/mol
- Monoisotopic mass
- 195.9783349
Names & identifiers
- Preferred name
- 2-Methyl-1,3-dithiane-2-carbonyl chloride
- IUPAC
- 2-methyl-1,3-dithiane-2-carbonyl chloride
- English name
- 1,3-Dithiane-2-carbonylchloride,2-methyl-(9CI)
- Molecular formula
- C6H9ClOS2
- Molecular weight
- 196.72
Names & synonyms
64714-84-72-Methyl-1,3-dithiane-2-carbonyl chlorideDTXSID904965391,3-Dithiane-2-carbonyl chloride, 2-methyl-1,3-Dithiane-2-carbonylchloride,2-methyl-(9CI)
Database identifiers
- CAS
64714-84-7- PubChem CID
- 12402575
- DTXSID
DTXSID90496539
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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