Chemical Properties of Thiazole, 5-acetamido-2-(methylsulfonyl)-4-nitro- (CAS 116529-25-0)

Thiazole, 5-acetamido-2-(methylsulfonyl)-4-nitro-

InChI
InChI=1S/C6H7N3O5S2/c1-3(10)7-5-4(9(11)12)8-6(15-5)16(2,13)14/h1-2H3,(H,7,10)
InChI Key
JXRPQZUGBAJILT-UHFFFAOYSA-N
Formula
C6H7N3O5S2
SMILES
CC(=O)Nc1sc(S(C)(=O)=O)nc1[N+](=O)[O-]
Molecular Weight1
265.27
CAS
116529-25-0
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.7507 Relay (1.0) Calculated Property
ΔfG° -76.57 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -347.44 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 90.06 kJ/mol Relay (1.0) Calculated Property
IE 9.16 eV Relay (1.0) Calculated Property
log10WS -3.38 Relay (1.0) Calculated Property
logPoct/wat 0.413 Crippen Calculated Property
McVol 159.330 ml/mol McGowan Calculated Property
Pc 3982.28 kPa Relay (1.0-beta) Calculated Property
Tboil 598.40 K Relay (1.0) Calculated Property
Tc 925.11 K Relay (1.0) Calculated Property
Tfus 455.71 K Relay (1.0) Calculated Property
Vc 0.562 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

3'-benzoylindicine. 12-O-Methylcarnosol. 2-Acetamido-2-deoxy-«alpha»-D-glucopyranose. Nomifensine M(HO), diacetylated, isomer # 1. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Quinine, trimethylsilyl ether. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Benazepril Me. 9H-Purin-2-amine, N-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9-[2,3,5-tris-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-. Cytidine, metho-oxime-TMS derivative. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. Cytidine, etho-oxime-TMS derivative. Cytidine, buto-oxime-TMS derivative.

Find more compounds similar to Thiazole, 5-acetamido-2-(methylsulfonyl)-4-nitro-.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.