3-[(phenylsulfanyl)...

3-[(phenylsulfanyl)methyl]imidazo[1,5-a]pyrazine(CAS No. 55316-49-9)

3-[(phenylsulfanyl)methyl]imidazo[1,5-a]pyrazine(CAS No. 55316-49-9)

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Keywords

9-(phenylsulfanylmethyl)-1,4,8-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene 55316-49-9 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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  • Storage:room temperature
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Details:

【Name】
3-[(phenylsulfanyl)methyl]imidazo[1,5-a]pyrazine
【Iupac name】
3-(phenylsulfanylmethyl)imidazo[1,5-a]pyrazine
【CAS Registry number】
55316-49-9
【Synonyms】
NSC207884
AC1L7C62
NSC-207884
3-(phenylsulfanylmethyl)imidazo[1,5-a]pyrazine
55316-49-9
【Molecular Formula】
C13H11N3S (Products with the same molecular formula)
【Molecular Weight】
241.3115
【Inchi】
InChI=1/C13H11N3S/c1-2-4-12(5-3-1)17-10-13-15-9-11-8-14-6-7-16(11)13/h1-9H,10H2
【Canonical SMILES】
C1=CC=C(C=C1)SCC2=NC=C3N2C=CN=C3
Chemical and Physical Properties
【Density】
1.26g/cm3
【Boiling Point】
°Cat760mmHg
【Refractive Index】
1.685
【Flash Point】
°C
【Computed Properties】
Molecular Weight:241.31154 [g/mol]
Molecular Formula:C13H11N3S
XLogP3-AA:2.8
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:3
Exact Mass:241.067368
MonoIsotopic Mass:241.067368
Topological Polar Surface Area:55.5
Heavy Atom Count:17
Formal Charge:0
Complexity:243
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 Cation Count:1
Feature 3D Ring Count:3
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:17

 

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