1H-Imidazo[4,5-c]pyridine,6-chloro-4-(methylthio)-1-b-D-ribofuranosyl-(CAS No. 55385-43-8) CAS NO.55385-43-8

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Product Details

Keywords

1H-Imidazo[4,5-c]pyridine,6-chloro-4-(methylthio)-1-b-D-ribofuranosyl-
55385-43-8
98%

Quick Details

ProName: 1H-Imidazo[4,5-c]pyridine,6-chloro-4-(...
CasNo: 55385-43-8
Molecular Formula: C12H14 Cl N3 O4 S
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 1 Metric Ton/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Kilogram

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Details

【Name】
1H-Imidazo[4,5-c]pyridine,6-chloro-4-(methylthio)-1-b-D-ribofuranosyl-
【Iupac name】
2-(6-chloro-4-methylsulfanylimidazo[4,
5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
【CAS Registry number】
55385-43-8
【Synonyms】
NSC178834
【Molecular Formula】
C12H14 Cl N3 O4 S (Products with the same molecular formula)
【Molecular Weight】
331.7753
【Inchi】
InChI=1/C12H14ClN3O4S/c1-21-11-8-5(2-7(13)15-11)16(4-14-8)12-10(19)9(18)6(3-17)20-12/h2,4,6,9-10,12,17-19H,3H2,1H3
【Canonical SMILES】
CSC1=C2C(=CC(=N1)Cl)N(C=N2)C3C(C(C(O3)CO)O)O
Chemical and Physical Properties
【Density】
1.82g/cm3
【Boiling Point】
658°Cat760mmHg
【Refractive Index】
1.782
【Flash Point】
351.7°C
【Computed Properties】
Molecular Weight:331.77526 [g/mol]
Molecular Formula:C12H14ClN3O4S
XLogP3-AA:0.6
H-Bond Donor:3
H-Bond Acceptor:6
Rotatable Bond Count:3
Exact Mass:331.039354
MonoIsotopic Mass:331.039354
Topological Polar Surface Area:126
Heavy Atom Count:21
Formal Charge:0
Complexity:382
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:5
Feature 3D Donor Count:3
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:3
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:363

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