5-(4-Chlorophenyl)-2,3-dihydro-1,4-dithiine
Basic information
- CAS
6317-12-0- Standard SMILES
Clc1ccc(C2=CSCCS2)cc1- InChIKey
WXUHLHBZAGARSN-UHFFFAOYSA-N- Molecular formula
- C10H9ClS2
- Average molar mass
- 228.8 g/mol
- Monoisotopic mass
- 227.9834203
Names & identifiers
- Preferred name
- 5-(4-Chlorophenyl)-2,3-dihydro-1,4-dithiine
- IUPAC
- 5-(4-chlorophenyl)-2,3-dihydro-1,4-dithiine
- English name
- 2-(4-chlorophenyl)-5,6-dihydro-1,4-dithiine
- Molecular formula
- C10H9ClS2
- Molecular weight
- 228.76
Names & synonyms
6317-12-05-(4-chlorophenyl)-2,3-dihydro-1,4-dithiineNSC40456DTXSID00285092NSC-404562-(4-chlorophenyl)-5,6-dihydro-1,4-dithiine1,4-Dithiin, 5-(4-chlorophenyl)-2,3-dihydro-
Database identifiers
- CAS
6317-12-0- PubChem CID
- 237165
- DTXSID
DTXSID00285092- Nikkaji
- J2.231.174C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 365.4 · 365.4±42.0 °C(Predicted)
- Density
- 1.323 · 1.323±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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