Basic information
- CAS
23515-35-7- Standard SMILES
CCCCN1CSC(=S)N(c2ccc(Br)c(Cl)c2)C1- InChIKey
WLLBIFQKYXMWKW-UHFFFAOYSA-N- Molecular formula
- C13H16BrClN2S2
- Average molar mass
- 379.8 g/mol
- Monoisotopic mass
- 377.96268
Names & identifiers
- Preferred name
- 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-3-chlorophenyl)-5-butyl-
- IUPAC
- 3-(4-bromo-3-chlorophenyl)-5-butyl-1,3,5-thiadiazinane-2-thione
Names & synonyms
23515-35-72H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-3-chlorophenyl)-5-butyl-Tetrahydro-3-(4-bromo-3-chlorophenyl)-5-butyl-2H-1,3,5-thiadiazine-2-thioneDTXSID20178098RefChem:267746DTXCID501005893-(4-bromo-3-chlorophenyl)-5-butyl-1,3,5-thiadiazinane-2-thione
Database identifiers
- CAS
23515-35-7- PubChem CID
- 211680
- DTXSID
DTXSID20178098
Properties
Computed structural properties
- XLogP
- 5.4
- 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
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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