4,5-Dimethyl-1,3-dithiole 1-oxide
Basic information
- CAS
159435-37-7- Standard SMILES
CC1=C(C)S(=O)CS1- InChIKey
PLRGPNMMSRWTBM-UHFFFAOYSA-N- Molecular formula
- C5H8OS2
- Average molar mass
- 148.3 g/mol
- Monoisotopic mass
- 148.00165722
Names & identifiers
- Preferred name
- 4,5-Dimethyl-1,3-dithiole 1-oxide
- IUPAC
- 4,5-dimethyl-1,3-dithiole 1-oxide
Names & synonyms
159435-37-7DTXSID6012776942H-1,3-Dithiole, 4,5-dimethyl-, 1-oxide4,5-Dimethyl-1,3lambda~4~-dithiol-1(2H)-one
Database identifiers
- CAS
159435-37-7- PubChem CID
- 10464482
- DTXSID
DTXSID601277694
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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