Chemical Properties of Imidazole, 5-(o-aminophenylthio)-1-methyl-4-nitro- (CAS 53900-32-6)

Imidazole, 5-(o-aminophenylthio)-1-methyl-4-nitro-

InChI
InChI=1S/C10H10N4O2S/c1-13-6-12-9(14(15)16)10(13)17-8-5-3-2-4-7(8)11/h2-6H,11H2,1H3
InChI Key
QYHRABNYVGQVDZ-UHFFFAOYSA-N
Formula
C10H10N4O2S
SMILES
Cn1cnc([N+](=O)[O-])c1Sc1ccccc1N
Molecular Weight1
250.28
CAS
53900-32-6
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Physical Properties

Property Value Unit Source
ω 0.6578 Relay (1.0) Calculated Property
ΔfG° 425.87 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 247.85 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 101.28 kJ/mol Relay (1.0) Calculated Property
IE 7.81 eV Relay (1.0) Calculated Property
log10WS -3.86 Relay (1.0) Calculated Property
logPoct/wat 2.062 Crippen Calculated Property
McVol 172.250 ml/mol McGowan Calculated Property
Pc 3381.15 kPa Relay (1.0-beta) Calculated Property
Tboil 639.63 K Relay (1.0) Calculated Property
Tc 963.18 K Relay (1.0) Calculated Property
Tfus 402.65 K Relay (1.0) Calculated Property
Vc 0.599 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

1-Methyl-4-nitro-5-(o-acetamidophenylsulfinyl)imidazole. Imidazol-5-yl,1-methyl-4-nitro-p-acetamidophenyl,sulfone. 5'-S-Methyl-5'-thioadenosine, bis(trimethylsilyl) deriv.. Sophoramine. Adenosine, 5'-S-methyl-5'-thio-N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. 9H-Purin-2-amine, N-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9-[2,3,5-tris-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-. Cytidine, metho-oxime-TMS derivative. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Cytidine, etho-oxime-TMS derivative. Cytidine, buto-oxime-TMS derivative. 2'-Deoxyguanosine, N-trimethylsilyl-, tris(trimethylsilyl) ether. guanosine, TMS. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane.

Find more compounds similar to Imidazole, 5-(o-aminophenylthio)-1-methyl-4-nitro-.

Sources

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