Basic information
- CAS
74835-39-5- Standard SMILES
COC1SSC(=C(C)C)C1(C)C- InChIKey
GWUSKEBFKGTBIH-UHFFFAOYSA-N- Molecular formula
- C9H16OS2
- Average molar mass
- 204.4 g/mol
- Monoisotopic mass
- 204.06425748
Names & identifiers
- Preferred name
- 3-Methoxy-4,4-dimethyl-5-(propan-2-ylidene)-1,2-dithiolane
- IUPAC
- 3-methoxy-4,4-dimethyl-5-propan-2-ylidenedithiolane
Names & synonyms
74835-39-5DTXSID805221543-Methoxy-4,4-dimethyl-5-(propan-2-ylidene)-1,2-dithiolaneRefChem:280382DTXCID00472960
Database identifiers
- CAS
74835-39-5- PubChem CID
- 13149259
- DTXSID
DTXSID80522154
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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