2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(p-chlorophenyl)-5-ethyl-
Basic information
- CAS
23515-25-5- Standard SMILES
CCN1CSC(=S)N(c2ccc(Cl)cc2)C1- InChIKey
ISWQERVVICLCAN-UHFFFAOYSA-N- Molecular formula
- C11H13ClN2S2
- Average molar mass
- 272.8 g/mol
- Monoisotopic mass
- 272.0208685
Names & identifiers
- Preferred name
- 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(p-chlorophenyl)-5-ethyl-
- IUPAC
- 3-(4-chlorophenyl)-5-ethyl-1,3,5-thiadiazinane-2-thione
Names & synonyms
23515-25-5BRN 09938802H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(p-chlorophenyl)-5-ethyl-DTXSID30178089Tetrahydro-3-(p-chlorophenyl)-5-ethyl-2H-1,3,5-thiadiazine-2-thioneRefChem:267758DTXCID101005803-(4-chlorophenyl)-5-ethyl-1,3,5-thiadiazinane-2-thione
Database identifiers
- CAS
23515-25-5- PubChem CID
- 211671
- DTXSID
DTXSID30178089
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
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Compound notes
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