Basic information
- CAS
774-51-6- Standard SMILES
Clc1ccc(C2CCSCC2)cc1- InChIKey
WROVLOOOXFUDMO-UHFFFAOYSA-N- Molecular formula
- C11H13ClS
- Average molar mass
- 212.74 g/mol
- Monoisotopic mass
- 212.0426493
Names & identifiers
- Preferred name
- 2H-Thiopyran, 4-(4-chlorophenyl)tetrahydro-
- IUPAC
- 4-(4-chlorophenyl)thiane
Names & synonyms
4-(4-chlorophenyl)thiane774-51-62H-Thiopyran, 4-(4-chlorophenyl)tetrahydro-4-(4-chlorophenyl)tetrahydro-2H-thiopyranDTXSID80357266AO-436/40882365
Database identifiers
- CAS
774-51-6- PubChem CID
- 848879
- DTXSID
DTXSID80357266
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 146
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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