Chemical Properties of Imidazole, 1-methyl-5-(methylsulfonyl)-4-nitro- (CAS 13755-79-8)

Imidazole, 1-methyl-5-(methylsulfonyl)-4-nitro-

InChI
InChI=1S/C5H7N3O4S/c1-7-3-6-4(8(9)10)5(7)13(2,11)12/h3H,1-2H3
InChI Key
PARSHOLGHQRIIZ-UHFFFAOYSA-N
Formula
C5H7N3O4S
SMILES
Cn1cnc([N+](=O)[O-])c1S(C)(=O)=O
Molecular Weight1
205.19
CAS
13755-79-8
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Physical Properties

Property Value Unit Source
ω 0.6455 Relay (1.0) Calculated Property
ΔfG° 66.37 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -177.50 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 84.86 kJ/mol Relay (1.0) Calculated Property
IE 9.52 eV Relay (1.0) Calculated Property
log10WS -2.67 Relay (1.0) Calculated Property
logPoct/wat -0.268 Crippen Calculated Property
McVol 127.320 ml/mol McGowan Calculated Property
Pc 3839.67 kPa Relay (1.0-beta) Calculated Property
Tboil 590.23 K Relay (1.0) Calculated Property
Tc 868.22 K Relay (1.0) Calculated Property
Tfus 426.37 K Relay (1.0) Calculated Property
Vc 0.464 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Imidazole-5-sulfonic acid,1-methyl-4-nitro-, sodium salt. Imidazole, 4-nitro-5-(propylsulfonyl)-. Imidazole, 5-(methylsulfonyl)-4-nitro-. 1-Methyl-4-nitro-5-(o-acetamidophenylsulfinyl)imidazole. 2-hydroxy-2-phenylethyl glucosinolate, TMS. (5R,6S,8S,Z)-8-Methoxy-3,6,10-trimethyl-4-oxo-4,5,6,7,8,11-hexahydrocyclodeca[b]furan-5-yl acetate. Cytosine arabinoside, dimethyl-TMS derivative. 5-Methyluridine, tris(trimethylsilyl) deriv.. 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. 5-methyluridine, 2',3',5'-tris(O-TMSi). narwedine. Morazone. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-isopropylsilyl. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate.

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

Sources

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