Basic information
- CAS
30863-25-3- Standard SMILES
S=C=Nc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1- InChIKey
OGDQNRVGEDRXGS-UHFFFAOYSA-N- Molecular formula
- C6Cl6N4S
- Average molar mass
- 372.9 g/mol
- Monoisotopic mass
- 369.797483
Names & identifiers
- Preferred name
- 2-Isothiocyanato-4,6-bis(trichloromethyl)-1,3,5-triazine
- IUPAC
- 2-isothiocyanato-4,6-bis(trichloromethyl)-1,3,5-triazine
Names & synonyms
2-isothiocyanato-4,6-bis(trichloromethyl)-1,3,5-triazine30863-25-3DTXSID10275323
Database identifiers
- CAS
30863-25-3- PubChem CID
- 35558
- DTXSID
DTXSID10275323- Nikkaji
- J1.615.181E
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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