Basic information
- CAS
4267-15-6- Standard SMILES
S=C=Nc1nc(Cl)nc(Cl)n1- InChIKey
RRVFGGBGCIJBHW-UHFFFAOYSA-N- Molecular formula
- C4Cl2N4S
- Average molar mass
- 207.04 g/mol
- Monoisotopic mass
- 205.9220726
Names & identifiers
- Preferred name
- 2,4-Dichloro-6-isothiocyanato-1,3,5-triazine
- IUPAC
- 2,4-dichloro-6-isothiocyanato-1,3,5-triazine
Names & synonyms
2,4-dichloro-6-isothiocyanato-1,3,5-triazineDTXSID202746654267-15-6RefChem:246293DTXCID60226128SCHEMBL301410
Database identifiers
- CAS
4267-15-6- PubChem CID
- 20265
- DTXSID
DTXSID20274665- Nikkaji
- J1.560.309G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 173
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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