Basic information
- CAS
30863-24-2- Standard SMILES
N#CSc1nc(SC#N)nc(SC#N)n1- InChIKey
CWQIIEXLSSXVJL-UHFFFAOYSA-N- Molecular formula
- C6N6S3
- Average molar mass
- 252.3 g/mol
- Monoisotopic mass
- 251.93465755
Names & identifiers
- Preferred name
- (4,6-Dithiocyanato-1,3,5-triazin-2-yl) thiocyanate
- IUPAC
- (4,6-dithiocyanato-1,3,5-triazin-2-yl) thiocyanate
Names & synonyms
2,4,6-Trithiocyanato-1,3,5-triazine30863-24-2(4,6-dithiocyanato-1,3,5-triazin-2-yl) thiocyanateSCHEMBL31379935DTXSID502753221,3,5-triazine-2,4,6-triyl tris(thiocyanate)
Database identifiers
- CAS
30863-24-2- PubChem CID
- 35557
- DTXSID
DTXSID50275322- Nikkaji
- J1.615.180G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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