Basic information
- CAS
4744-56-3- Standard SMILES
N#Cc1c(SCc2c(Cl)cccc2Cl)nsc1SCc1c(Cl)cccc1Cl- InChIKey
XSXDXHSALXKUNV-UHFFFAOYSA-N- Molecular formula
- C18H10Cl4N2S3
- Average molar mass
- 492.3 g/mol
- Monoisotopic mass
- 489.876023
Names & identifiers
- Preferred name
- 3,5-Bis[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile
- IUPAC
- 3,5-bis[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile
Names & synonyms
3,5-bis[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile4744-56-3DTXSID303844063,5-Bis{[(2,6-dichlorophenyl)methyl]sulfanyl}-1,2-thiazole-4-carbonitrile
Database identifiers
- CAS
4744-56-3- PubChem CID
- 2803603
- DTXSID
DTXSID30384406
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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