3-[(phenylsulfinyl)methyl]imidazo[1,5-a]pyrazine(CAS No. 55316-52-4) CAS NO.55316-52-4

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Product Details

Keywords

9-(benzenesulfinylmethyl)-1,4,8-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene
55316-52-4
98%

Quick Details

ProName: 3-[(phenylsulfinyl)methyl]imidazo[1,5-...
CasNo: 55316-52-4
Molecular Formula: C13H11N3OS
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: According to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 10 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram

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Details

【Name】
3-[(phenylsulfinyl)methyl]imidazo[1,5-a]pyrazine
【Iupac name】
3-(benzenesulfinylmethyl)imidazo[1,5-a]pyrazine
【CAS Registry number】
55316-52-4
【Synonyms】
NSC207885
AC1L7C65
NSC-207885
3-(benzenesulfinylmethyl)imidazo[1,5-a]pyrazine
55316-52-4
【Molecular Formula】
C13H11N3OS (Products with the same molecular formula)
【Molecular Weight】
257.3109
【Inchi】
InChI=1/C13H11N3OS/c17-18(12-4-2-1-3-5-12)10-13-15-9-11-8-14-6-7-16(11)13/h1-9H,10H2
【Canonical SMILES】
C1=CC=C(C=C1)S(=O)CC2=NC=C3N2C=CN=C3
Chemical and Physical Properties
【Density】
1.38g/cm3
【Refractive Index】
1.723
【Computed Properties】
Molecular Weight:257.31094 [g/mol]
Molecular Formula:C13H11N3OS
XLogP3-AA:1.5
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:3
Exact Mass:257.062283
MonoIsotopic Mass:257.062283
Topological Polar Surface Area:66.5
Heavy Atom Count:18
Formal Charge:0
Complexity:307
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:3
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:21

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