1,4-Dithiin
Basic information
- CAS
290-79-9- Standard SMILES
C1=CSC=CS1- InChIKey
AKAIWNDBVZJOAJ-UHFFFAOYSA-N- Molecular formula
- C4H4S2
- Average molar mass
- 116.2 g/mol
- Monoisotopic mass
- 115.97544247
Names & identifiers
- Preferred name
- 1,4-Dithiin
- IUPAC
- 1,4-dithiine
- English name
- 1,4-Dithiin
- Molecular formula
- C4H4S2
- Molecular weight
- 116.20456
Names & synonyms
1,4-Dithiin290-79-9DTXSID70183192RefChem:73348DTXCID801056831,4-dithiineSCHEMBL431024SCHEMBL6385113
Database identifiers
- CAS
290-79-9- PubChem CID
- 136139
- DTXSID
DTXSID70183192- Nikkaji
- J1.021.472F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 63.5
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- LogP
- 1.88 · 1.880 (est)
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Related reactions
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Compound notes
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