Basic information
- CAS
30360-90-8- Standard SMILES
CCNc1nc(NC(C)C)nc(SCC#N)n1- InChIKey
ZKJXEMNETFTANR-UHFFFAOYSA-N- Molecular formula
- C10H16N6S
- Average molar mass
- 252.34 g/mol
- Monoisotopic mass
- 252.11571571
Names & identifiers
- Preferred name
- 2-[[4-(Ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetonitrile
- IUPAC
- 2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetonitrile
Names & synonyms
2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetonitrile30360-90-8DTXSID00275216({4-(Ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl}sulfanyl)acetonitrile
Database identifiers
- CAS
30360-90-8- PubChem CID
- 35133
- DTXSID
DTXSID00275216- Nikkaji
- J1.613.466J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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