2,6-Diamino-4-cyclohexyl-4H-thiopyran-3,5-dicarbonitrile
Basic information
- CAS
315246-53-8- Standard SMILES
N#CC1=C(N)SC(N)=C(C#N)C1C1CCCCC1- InChIKey
RBAOYVGXTOUWKG-UHFFFAOYSA-N- Molecular formula
- C13H16N4S
- Average molar mass
- 260.36 g/mol
- Monoisotopic mass
- 260.1095677
Names & identifiers
- Preferred name
- 2,6-Diamino-4-cyclohexyl-4H-thiopyran-3,5-dicarbonitrile
- IUPAC
- 2,6-diamino-4-cyclohexyl-4H-thiopyran-3,5-dicarbonitrile
Names & synonyms
2,6-Diamino-4-cyclohexyl-4H-thiopyran-3,5-dicarbonitrileCambridge id 5488546IFLab1_000875RBAOYVGXTOUWKG-UHFFFAOYSA-NHMS1414H17STK073639AKOS000572234315246-53-8ST50005467AB00086884-01AG-690/128884822,6-diamino-4-cyclohexyl-4H-thiin-3,5-dicarbonitrile
Show more names
2,6-diamino-4-cyclohexyl-4h-thiopyran-3,5-di-carbonitrile
Database identifiers
- CAS
315246-53-8- PubChem CID
- 600757
- EC Number
- 167-936-0
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 470
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
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Related reactions
0 records
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Compound notes
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