2-Methylthietane
Basic information
- CAS
17837-41-1- Standard SMILES
CC1CCS1- InChIKey
DUTRXPYVMIFJQZ-UHFFFAOYSA-N- Molecular formula
- C4H8S
- Average molar mass
- 88.17 g/mol
- Monoisotopic mass
- 88.03467143
Names & identifiers
- Preferred name
- 2-Methylthietane
- IUPAC
- 2-methylthietane
- English name
- 2-Methylthiacyclobutane
- Molecular formula
- C4H8S
- Molecular weight
- 88.17
Names & synonyms
2-MethylthietaneThietane, 2-methyl-2-Methylthiacyclobutane17837-41-1Butane, 1,3-epithio-2-methyl-thietane.alpha.-MethylthietaneSCHEMBL935173SCHEMBL1292309SCHEMBL1355165DTXSID40339962DUTRXPYVMIFJQZ-UHFFFAOYSA-N
Show more names
EN300-30842983
Database identifiers
- CAS
17837-41-1- PubChem CID
- 560338
- DTXSID
DTXSID40339962- Nikkaji
- J102.063C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 34.6
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 106 °C · 106°C
- Density
- 0.957 · 0.957
- refractive index
- 1.4852 · 1.4852 (estimate)
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Related reactions
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Compound notes
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