2-Amino-6-mercaptopyridine-3,5-dicarbonitrile
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Basic information
- CAS
111971-56-3- Standard SMILES
N#Cc1cc(C#N)c(=S)[nH]c1N- InChIKey
AOLHMHYTLZBBKT-UHFFFAOYSA-N- Molecular formula
- C7H4N4S
- Average molar mass
- 176.2 g/mol
- Monoisotopic mass
- 176.01566732
Names & identifiers
- Preferred name
- 2-Amino-6-mercaptopyridine-3,5-dicarbonitrile
- IUPAC
- 2-amino-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
- English name
- 2-AMINO-6-MERCAPTOPYRIDINE-3,5-DICARBONITRILE
- Molecular formula
- C7H4N4S
- Molecular weight
- 176.2
Names & synonyms
111971-56-32-amino-6-mercaptopyridine-3,5-dicarbonitrileDTXSID50350567RefChem:255829DTXCID90301634139438-26-92-amino-6-sulfanylpyridine-3,5-dicarbonitrile3,5-Pyridinedicarbonitrile, 6-amino-1,2-dihydro-2-thioxo-6-amino-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile2-amino-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile6-amino-2-sulfanylidene-1,2-dihydropyridine-3,5-dicarbonitrilestarbld0037959
Show more names
SCHEMBL7151216HMS1789E03MFCD06382875STK075843AKOS000487832AKOS0011218182-amino-3,5-dicyano-6-mercaptopyridineST007517
Database identifiers
- CAS
111971-56-3- PubChem CID
- 683189
- DTXSID
DTXSID50350567- Nikkaji
- J1.382.041D
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 398
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- Boiling point
- 270.5 · 270.5±50.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 4.69 · 4.69±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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