Basic information
- CAS
89713-84-8- Standard SMILES
CC1CSS(=O)O1- InChIKey
LENXNZATUKOURH-UHFFFAOYSA-N- Molecular formula
- C3H6O2S2
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 137.98092178
Names & identifiers
- Preferred name
- 5-Methyl-1,2,3-oxadithiolane 2-oxide
- IUPAC
- 5-methyloxadithiolane 2-oxide
Names & synonyms
89713-84-85-Methyl-1,2,3-oxadithiolane 2-oxideNSC29227NSC 29227NSC-292275-methyloxadithiolane 2-oxideSU7Q94SQV9DTXSID9010089531,2,3-Oxadithiolane, 5-methyl-, 2-oxide5-Methyl-1,2lambda~4~,3-oxadithiolan-2-one
Database identifiers
- CAS
89713-84-8- PubChem CID
- 232159
- DTXSID
DTXSID901008953- UNII
- SU7Q94SQV9
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 92.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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