Chemical Properties of Imidazole, 5-(methylsulfonyl)-4-nitro- (CAS 110299-87-1)

Imidazole, 5-(methylsulfonyl)-4-nitro-

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InChI
InChI=1S/C4H5N3O4S/c1-12(10,11)4-3(7(8)9)5-2-6-4/h2H,1H3,(H,5,6)
InChI Key
AGOXDXWPTKSCRO-UHFFFAOYSA-N
Formula
C4H5N3O4S
SMILES
CS(=O)(=O)c1[nH]cnc1[N+](=O)[O-]
Molecular Weight1
191.16
CAS
110299-87-1
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Physical Properties

Property Value Unit Source
ω 0.6197 Relay (... Calculated Property
ΔfG° 27.85 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -180.15 kJ/mol Relay (... Calculated Property
ΔvapH° 91.04 kJ/mol Relay (... Calculated Property
IE 9.91 eV Relay (... Calculated Property
log10WS -3.06 Relay (... Calculated Property
logPoct/wat -0.760 Crippen Calculated Property
McVol 113.230 ml/mol McGowan Calculated Property
Pc 4622.60 kPa Relay (... Calculated Property ⚠️
Tboil 593.43 K Relay (... Calculated Property
Tc 887.61 K Relay (... Calculated Property
Tfus 463.24 K Relay (... Calculated Property
Vc 0.409 m3/kmol Relay (... Calculated Property

Similar Compounds

Imidazole, 4-nitro-5-(propylsulfonyl)-. Imidazole, 5(4)-(methylthio)-4(5)-nitro-. Imidazole, 1-methyl-5-(methylsulfonyl)-4-nitro-. Imidazole, 5-(n-butylthio)-4-nitro-. D-Tryptophan, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. L-Tryptophan, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. Cyclothiazide. Cytosine arabinoside, dimethyl-TMS derivative. 9H-purine, 6-amino-2-(methylamino)-9-beta-d-ribofuranosyl-. 11-Dehydroestrone (enol), TMS. (1R,4S,5S)-4-tert-Butyldimethylsilyloxy-2-aza-8-oxabicyclo[3,2,1]octane. Uridine, 5'-O-TBDMS. 5-methyluridine, 2',3',5'-tris(O-TMSi). Uridine, 2',5'-bis-O-TBDMS. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-.

Find more compounds similar to Imidazole, 5-(methylsulfonyl)-4-nitro-.

Sources

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