Chemical Properties of 4,4'-Diacetyl-[2,2'-azo-1,3,4-thiadiazol-5-one] (CAS 116529-22-7)

4,4'-Diacetyl-[2,2'-azo-1,3,4-thiadiazol-5-one]

InChI
InChI=1S/C8H6N6O4S2/c1-3(15)13-7(17)19-5(11-13)9-10-6-12-14(4(2)16)8(18)20-6/h1-2H3/b10-9+
InChI Key
WEVDGPZETOVFSR-MDZDMXLPSA-N
Formula
C8H6N6O4S2
SMILES
CC(=O)n1nc(N=Nc2nn(C(C)=O)c(=O)s2)sc1=O
Molecular Weight1
314.30
CAS
116529-22-7
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Physical Properties

Property Value Unit Source
ω 0.8755 Relay (1.0) Calculated Property
ΔfG° 157.85 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -44.88 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 101.48 kJ/mol Relay (1.0) Calculated Property
IE 9.23 eV Relay (1.0) Calculated Property
log10WS -3.70 Relay (1.0) Calculated Property
logPoct/wat 0.659 Crippen Calculated Property
McVol 187.820 ml/mol McGowan Calculated Property
Pc 4166.53 kPa Relay (1.0-beta) Calculated Property
Tboil 612.97 K Relay (1.0) Calculated Property
Tc 984.00 K Relay (1.0) Calculated Property
Tfus 502.76 K Relay (1.0) Calculated Property
Vc 0.720 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

3,4-Diacetyl-5-oxo-1,3,4-thiadiazolidone-2-azine. 4,4'-Dibenzyl-[2,2'-azo-1,3,4-thiadiazol-5-one]. geranial oxypeucedaninyl acetal (diastereomer b). geranial oxypeucedaninyl acetal (diastereomer a). neral oxypeucedaninyl acetal (diastereomer b). neral oxypeucedaninyl acetal (diastereomer a). 11H-Pyrido[2,1-b]quinazolin-11-one, 6,7,8,9-tetrahydro, 8-methyl. Dihydrojatamansin. Indometacin, methylated. RTI 12. 6,11-Dihydro-6,11-dioxo-5a,12-diazabenzo[b] cycloheptano [a]-indene. Indometacin, hydroxy, bis-methylated. Benz[a]indeno[1,2-c]fluorene. 2-Isopropenyl-2,3-dihydrofuro[3,2-g]chromen-7-one. 1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol , trimethylsilanyl ether.

Find more compounds similar to 4,4'-Diacetyl-[2,2'-azo-1,3,4-thiadiazol-5-one].

Sources

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