2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(3,4-dichlorophenyl)-
Basic information
- CAS
21494-85-9- Standard SMILES
CCCCN1CSC(=S)N(c2ccc(Cl)c(Cl)c2)C1- InChIKey
HJHPUHXSNRQSEV-UHFFFAOYSA-N- Molecular formula
- C13H16Cl2N2S2
- Average molar mass
- 335.3 g/mol
- Monoisotopic mass
- 334.0131963
Names & identifiers
- Preferred name
- 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(3,4-dichlorophenyl)-
- IUPAC
- 5-butyl-3-(3,4-dichlorophenyl)-1,3,5-thiadiazinane-2-thione
Names & synonyms
21494-85-92H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(3,4-dichlorophenyl)-DTXSID80175826Tetrahydro-5-butyl-3-(3,4-dichlorophenyl)-2H-1,3,5-thiadiazine-2-thioneRefChem:267760DTXCID30983175-butyl-3-(3,4-dichlorophenyl)-1,3,5-thiadiazinane-2-thione
Database identifiers
- CAS
21494-85-9- PubChem CID
- 210694
- DTXSID
DTXSID80175826
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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