Basic information
- CAS
30360-93-1- Standard SMILES
N#CSc1nc(N)nc(N)n1- InChIKey
WDZSJMZWQIZNHH-UHFFFAOYSA-N- Molecular formula
- C4H4N6S
- Average molar mass
- 168.18 g/mol
- Monoisotopic mass
- 168.02181533
Names & identifiers
- Preferred name
- (4,6-Diamino-1,3,5-triazin-2-yl) thiocyanate
- IUPAC
- (4,6-diamino-1,3,5-triazin-2-yl) thiocyanate
Names & synonyms
(4,6-diamino-1,3,5-triazin-2-yl) thiocyanateDTXSID2027521830360-93-1RefChem:208451DTXCID802266651,3,5-Triazine, 2,4-diamino-6-thiocyanato-4,6-diamino-1,3,5-triazin-2-yl thiocyanate
Database identifiers
- CAS
30360-93-1- PubChem CID
- 35136
- DTXSID
DTXSID20275218- Nikkaji
- J1.613.469D
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 165
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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