3-(methylsulfinyl)i...

3-(methylsulfinyl)imidazo[1,5-a]pyrazine(CAS No. 56488-26-7)

3-(methylsulfinyl)imidazo[1,5-a]pyrazine(CAS No. 56488-26-7)

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Keywords

9-methylsulfinyl-1,4,8-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene 56488-26-7 98327-87-8

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  • Appearance:Solid
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Details:

【Name】
3-(methylsulfinyl)imidazo[1,5-a]pyrazine
【Iupac name】
3-methylsulfinylimidazo[1,5-a]pyrazine
【CAS Registry number】
56488-26-7
【Synonyms】
56488-26-7
NSC173345
AC1L6V8E
NSC-173345
3-methylsulfinylimidazo[1,5-a]pyrazine
3-(methylsulfinyl)imidazo[1,5-a]pyrazine
【Molecular Formula】
C7H7N3OS (Products with the same molecular formula)
【Molecular Weight】
181.215
【Inchi】
InChI=1/C7H7N3OS/c1-12(11)7-9-5-6-4-8-2-3-10(6)7/h2-5H,1H3
【Canonical SMILES】
CS(=O)C1=NC=C2N1C=CN=C2
Chemical and Physical Properties
【Density】
1.55g/cm3
【Boiling Point】
°Cat760mmHg
【Refractive Index】
1.767
【Flash Point】
°C
【Computed Properties】
Molecular Weight:181.21498 [g/mol]
Molecular Formula:C7H7N3OS
XLogP3-AA:0.2
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:1
Exact Mass:181.030983
MonoIsotopic Mass:181.030983
Topological Polar Surface Area:66.5
Heavy Atom Count:12
Formal Charge:0
Complexity:199
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:4

 

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