2,4-Dimethylthietane
Basic information
- CAS
43044-24-2- Standard SMILES
CC1CC(C)S1- InChIKey
PCMVFKBBCXWSNV-UHFFFAOYSA-N- Molecular formula
- C5H10S
- Average molar mass
- 102.2 g/mol
- Monoisotopic mass
- 102.05032149
Names & identifiers
- Preferred name
- 2,4-Dimethylthietane
- IUPAC
- 2,4-dimethylthietane
- English name
- 2,4-Dimethylthietane
- Molecular formula
- C5H10S
- Molecular weight
- 102.2
Names & synonyms
2,4-DimethylthietaneThietane, 2,4-dimethyl-43044-24-2DTXSID60338311RefChem:246652DTXCID40289397PCMVFKBBCXWSNV-UHFFFAOYSA-NSCHEMBL10690918SCHEMBL19301248
Database identifiers
- CAS
43044-24-2- PubChem CID
- 548266
- DTXSID
DTXSID60338311- Nikkaji
- J99.870B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 45.9
Physicochemical properties
- Boiling point
- 118.5 · 118.5±8.0 °C(Predicted)
- Density
- 0.925 · 0.925±0.06 g/cm3(Predicted)
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Compound notes
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