N-methyl-6-(methyls...

N-methyl-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 5444-28-0

N-methyl-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 5444-28-0

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

N-methyl-3-methylsulfanyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-tetraen-5-amine 5444-28-0 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:Room Temperature
  • Transportation:By sea or by air

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Details:

【Name】
N-methyl-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
【CAS Registry number】
5444-28-0
【Synonyms】
n-methyl-6-(methylsulfanyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
NSC19081
AC1L5FIW
AC1Q4W3I
AR-1K7597
NSC-19081
N-methyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
【Molecular Formula】
C7H9N5S (Products with the same molecular formula)
【Molecular Weight】
195.2449
【Inchi】
InChI=1/C7H9N5S/c1-8-5-4-3-9-12-6(4)11-7(10-5)13-2/h3H,1-2H3,(H2,8,9,10,11,12)
【Canonical SMILES】
CNC1=NC(=NC2=C1C=NN2)SC
【MOL File】
5444-28-0.mol
Chemical and Physical Properties
【Density】
1.42g/cm3
【Boiling Point】
495.9°C at 760 mmHg
【Refractive Index】
1.695
【Flash Point】
253.7°C
【Computed Properties】
Molecular Weight:195.24486 [g/mol]
Molecular Formula:C7H9N5S
XLogP3-AA:1.3
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:2
Tautomer Count:13
Exact Mass:195.057866
MonoIsotopic Mass:195.057866
Topological Polar Surface Area:91.8
Heavy Atom Count:13
Formal Charge:0
Complexity:178
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:2
Feature 3D Cation Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:4

 

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