Basic information
- CAS
21494-87-1- Standard SMILES
CCCCN1CSC(=S)N(c2ccc(Br)c(C)c2)C1- InChIKey
GOKLDNHNDUIFQF-UHFFFAOYSA-N- Molecular formula
- C14H19BrN2S2
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 358.0173
Names & identifiers
- Preferred name
- 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-m-tolyl)-5-butyl-
- IUPAC
- 3-(4-bromo-3-methylphenyl)-5-butyl-1,3,5-thiadiazinane-2-thione
Names & synonyms
21494-87-12H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-m-tolyl)-5-butyl-DTXSID00175828Tetrahydro-3-(4-bromo-m-tolyl)-5-butyl-2H-1,3,5-thiadiazine-2-thioneRefChem:267749DTXCID30983193-(4-bromo-3-methylphenyl)-5-butyl-1,3,5-thiadiazinane-2-thione
Database identifiers
- CAS
21494-87-1- PubChem CID
- 210696
- DTXSID
DTXSID00175828
Properties
Computed structural properties
- XLogP
- 5.1
- 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
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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