Basic information
- CAS
30362-22-2- Standard SMILES
S=C=Nc1nc(N=C=S)nc(Nc2ccccc2Cl)n1- InChIKey
IHXSSXGSVVADSS-UHFFFAOYSA-N- Molecular formula
- C11H5ClN6S2
- Average molar mass
- 320.8 g/mol
- Monoisotopic mass
- 319.9705642
Names & identifiers
- Preferred name
- N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine
- IUPAC
- N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine
Names & synonyms
30362-22-2N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amineDTXSID20275238
Database identifiers
- CAS
30362-22-2- PubChem CID
- 35176
- DTXSID
DTXSID20275238- Nikkaji
- J1.613.738C
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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