2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(p-chlorophenyl)-
Basic information
- CAS
23515-26-6- Standard SMILES
CCCCN1CSC(=S)N(c2ccc(Cl)cc2)C1- InChIKey
BLJBPSAIWCSXAO-UHFFFAOYSA-N- Molecular formula
- C13H17ClN2S2
- Average molar mass
- 300.9 g/mol
- Monoisotopic mass
- 300.0521686
Names & identifiers
- Preferred name
- 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(p-chlorophenyl)-
- IUPAC
- 5-butyl-3-(4-chlorophenyl)-1,3,5-thiadiazinane-2-thione
Names & synonyms
23515-26-6BRN 10004832H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(p-chlorophenyl)-DTXSID40178090Tetrahydro-5-butyl-3-(p-chlorophenyl)-2H-1,3,5-thiadiazine-2-thioneRefChem:267762DTXCID701005815-butyl-3-(4-chlorophenyl)-1,3,5-thiadiazinane-2-thione
Database identifiers
- CAS
23515-26-6- PubChem CID
- 211672
- DTXSID
DTXSID40178090
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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