5,7-Dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
Basic information
- CAS
51646-19-6- Standard SMILES
CSc1nc2nc(C)cc(C)n2n1- InChIKey
BTLWCWRYAWSLNK-UHFFFAOYSA-N- Molecular formula
- C8H10N4S
- Average molar mass
- 194.26 g/mol
- Monoisotopic mass
- 194.06261732
Names & identifiers
- Preferred name
- 5,7-Dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
- IUPAC
- 5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
- English name
- 5,7-Dimethyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine
- Molecular formula
- C8H10N4S
- Molecular weight
- 194.26
Names & synonyms
51646-19-65,7-dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine5,7-Dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidineMFCD00160121[1,2,4]Triazolo[1,5-a]pyrimidine, 5,7-dimethyl-2-(methylthio)-5,7-Dimethyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidine5,7-dimethyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidineHMS1584E07Cambridge id 5666301CHEMBL134879SCHEMBL15707810DTXSID70351672
Show more names
5,7-dimethyl-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine - [D86876]
HMS5090A12STK245300AKOS001082228SB18419SY099652CS-0050719EU-0086506P17217
Database identifiers
- CAS
51646-19-6- PubChem CID
- 706602
- DTXSID
DTXSID70351672- ChEMBL
CHEMBL134879- Nikkaji
- J2.698.706G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 154 · 154-155 °C(Solv: methanol (67-56-1); water (7732-18-5))
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 1.29 · 1.29±0.30(Predicted)
- Appearance
- pink solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
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
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Suppliers
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Related reactions
2 records
Compound notes
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