Basic information
- CAS
23517-67-1- Standard SMILES
CCCC1SC(=S)N(c2ccc(Br)c(C)c2)C1=O- InChIKey
KCYOLTMYVQUMST-UHFFFAOYSA-N- Molecular formula
- C13H14BrNOS2
- Average molar mass
- 344.3 g/mol
- Monoisotopic mass
- 342.97002
Names & identifiers
- Preferred name
- 3-(4-Bromo-3-methylphenyl)-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
- IUPAC
- 3-(4-bromo-3-methylphenyl)-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
23517-67-1DTXSID709462493-(4-bromo-3-methylphenyl)-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-oneRefChem:1066784DTXCID0013745393-(4-Bromo-m-tolyl)-5-propylrhodanineRhodanine, 3-(4-bromo-m-tolyl)-5-propyl-
Database identifiers
- CAS
23517-67-1- PubChem CID
- 211699
- DTXSID
DTXSID70946249
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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