s-Methyl 2,2-dimethylpropanethioate
Basic information
- CAS
42075-46-7- Standard SMILES
CSC(=O)C(C)(C)C- InChIKey
WJBZAGQFQHZMCG-UHFFFAOYSA-N- Molecular formula
- C6H12OS
- Average molar mass
- 132.23 g/mol
- Monoisotopic mass
- 132.06088618
Names & identifiers
- Preferred name
- s-Methyl 2,2-dimethylpropanethioate
- IUPAC
- S-methyl 2,2-dimethylpropanethioate
Names & synonyms
s-methyl 2,2-dimethylpropanethioateNSC13325942075-46-7SCHEMBL1319843SCHEMBL1319847DTXSID70299848NSC-133259
Database identifiers
- CAS
42075-46-7、42480-64-8- PubChem CID
- 280915
- DTXSID
DTXSID70299848- Nikkaji
- J520.335J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 91.2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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