2H-Thiopyran, tetrahydro-3,4-dimethyl-, cis-
Basic information
- CAS
61568-50-1- Standard SMILES
C[C@@H]1CSCC[C@@H]1C- InChIKey
JLSMLKZFQHSQRA-NKWVEPMBSA-N- Molecular formula
- C7H14S
- Average molar mass
- 130.25 g/mol
- Monoisotopic mass
- 130.08162162
Names & identifiers
- Preferred name
- 2H-Thiopyran, tetrahydro-3,4-dimethyl-, cis-
- IUPAC
- (3S,4S)-3,4-dimethylthiane
Names & synonyms
2H-Thiopyran, tetrahydro-3,4-dimethyl-, cis-61568-50-1DTXSID90349177RefChem:269279DTXCID50300249(3S,4S)-3,4-dimethylthiane
Database identifiers
- CAS
61568-50-1- PubChem CID
- 643433
- DTXSID
DTXSID90349177
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70.8
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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