Basic information
- CAS
30362-24-4- Standard SMILES
N#CSc1nc(Nc2ccccc2Cl)nc(SC#N)n1- InChIKey
CXDXOSNNTHXHHF-UHFFFAOYSA-N- Molecular formula
- C11H5ClN6S2
- Average molar mass
- 320.8 g/mol
- Monoisotopic mass
- 319.9705642
Names & identifiers
- Preferred name
- [4-(2-Chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate
- IUPAC
- [4-(2-chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate
Names & synonyms
30362-24-4[4-(2-chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanateDTXSID802752396-(2-Chloroanilino)-1,3,5-triazine-2,4-diyl bis(thiocyanate)
Database identifiers
- CAS
30362-24-4- PubChem CID
- 35178
- DTXSID
DTXSID80275239- Nikkaji
- J1.614.075I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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