1,3-Dioxole-2-thione
Basic information
- CAS
37635-87-3- Standard SMILES
S=c1occo1- InChIKey
MMGCXSBBWCOBEX-UHFFFAOYSA-N- Molecular formula
- C3H2O2S
- Average molar mass
- 102.11 g/mol
- Monoisotopic mass
- 101.97755048
Names & identifiers
- Preferred name
- 1,3-Dioxole-2-thione
- IUPAC
- 1,3-dioxole-2-thione
- English name
- 1,3-Dioxole-2-thione
- Molecular formula
- C3H2O2S
- Molecular weight
- 102.11
Names & synonyms
1,3-Dioxole-2-thione37635-87-32H-1,3-dioxole-2-thione1,3-dioxol-2-thioneSCHEMBL229641DTXSID301910712-Thiono-1,3-dioxol-4-ene
Database identifiers
- CAS
37635-87-3- PubChem CID
- 142180
- DTXSID
DTXSID30191071- Nikkaji
- J2.773.310G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 87
Experimental & physicochemical properties
SpringerMaterials PropertiesElectric dipole moment
Physicochemical properties
- Boiling point
- 70 · 70-72 °C(Press: 12 Torr)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
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Related reactions
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Compound notes
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