1,4-Dithiin, 2,3-dihydro-5-phenyl-
Basic information
- CAS
35756-26-4- Standard SMILES
C1=C(c2ccccc2)SCCS1- InChIKey
PXUJCQJEUZSWIH-UHFFFAOYSA-N- Molecular formula
- C10H10S2
- Average molar mass
- 194.3 g/mol
- Monoisotopic mass
- 194.02239267
Names & identifiers
- Preferred name
- 1,4-Dithiin, 2,3-dihydro-5-phenyl-
- IUPAC
- 5-phenyl-2,3-dihydro-1,4-dithiine
Names & synonyms
1,4-Dithiin, 2,3-dihydro-5-phenyl-35756-26-4DTXSID10345712RefChem:220860DTXCID602967855-Phenyl-2,3-dihydro-1,4-dithiine2-phenyl-5,6-dihydro-1,4-dithiin5,6-Dihydro-2-phenyl-1,4-dithiineSCHEMBL25024045-Phenyl-2,3-dihydro-1,4-dithiine #
Database identifiers
- CAS
35756-26-4- PubChem CID
- 606571
- DTXSID
DTXSID10345712- Nikkaji
- J371.266D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
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Related reactions
4 records
Compound notes
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