[4,6-Bis(propan-2-ylamino)-1,3,5-triazin-2-yl] thiocyanate
Basic information
- CAS
30360-92-0- Standard SMILES
CC(C)Nc1nc(NC(C)C)nc(SC#N)n1- InChIKey
MQDHUALOAYVISZ-UHFFFAOYSA-N- Molecular formula
- C10H16N6S
- Average molar mass
- 252.34 g/mol
- Monoisotopic mass
- 252.11571571
Names & identifiers
- Preferred name
- [4,6-Bis(propan-2-ylamino)-1,3,5-triazin-2-yl] thiocyanate
- IUPAC
- [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl] thiocyanate
Names & synonyms
30360-92-0[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl] thiocyanateDTXSID602752174,6-Bis[(propan-2-yl)amino]-1,3,5-triazin-2-yl thiocyanate
Database identifiers
- CAS
30360-92-0- PubChem CID
- 35135
- DTXSID
DTXSID60275217- Nikkaji
- J1.613.468F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
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Compound notes
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