Chemical Properties of 2,2'-Azo-1,3,4-thiadiazol-5-one (CAS 116529-21-6)

2,2'-Azo-1,3,4-thiadiazol-5-one

InChI
InChI=1S/C4H2N6O2S2/c11-3-9-7-1(13-3)5-6-2-8-10-4(12)14-2/h(H,9,11)(H,10,12)/b6-5+
InChI Key
RCXQQQWNJKDIHC-AATRIKPKSA-N
Formula
C4H2N6O2S2
SMILES
O=c1[nH]nc(N=Nc2n[nH]c(=O)s2)s1
Molecular Weight1
230.23
CAS
116529-21-6
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Physical Properties

Property Value Unit Source
ω 0.6940 Relay (1.0) Calculated Property
ΔfG° 295.74 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 272.56 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 129.73 kJ/mol Relay (1.0) Calculated Property
IE 9.17 eV Relay (1.0) Calculated Property
log10WS -3.40 Relay (1.0) Calculated Property
logPoct/wat -0.572 Crippen Calculated Property
McVol 128.320 ml/mol McGowan Calculated Property
Pc 6323.02 kPa Relay (1.0-beta) Calculated Property
Tboil 602.74 K Relay (1.0) Calculated Property
Tc 981.03 K Relay (1.0) Calculated Property
Tfus 542.98 K Relay (1.0) Calculated Property
Vc 0.480 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

2,2'-Azo-1,3,4-thiadiazol-5-thione. 4,4'-Diacetyl-[2,2'-azo-1,3,4-thiadiazol-5-one]. 5,5'-Dichloro-[2,2'-azo-1,3,4-thiadiazol]. 5-Hydroxy-[2,2'-azo-1,3,4-thiadiazole]-5'-sulfonic acid, dipotassium salt. 4,4'-Dibenzyl-[2,2'-azo-1,3,4-thiadiazol-5-one]. 5,5'-Diphenyl-[2,2'-azo-1,3,4-thiadiazole]. 5,5'-Bis-benzylmercapto-[2,2'-azo-1,3,4-thiadiazol]. «beta»-Alanine, N-(thiophene-2-carbonyl)-, hexyl ester. «beta»-Alanine, N-(thiophene-2-carbonyl)-, decyl ester. «beta»-Alanine, N-(thiophene-2-carbonyl)-, undecyl ester. «beta»-Alanine, N-(thiophene-2-carbonyl)-, pentadecyl ester. «beta»-Alanine, N-(thiophene-2-carbonyl)-, octyl ester. «beta»-Alanine, N-(thiophene-2-carbonyl)-, nonyl ester. «beta»-Alanine, N-(thiophene-2-carbonyl)-, dodecyl ester. «beta»-Alanine, N-(thiophene-2-carbonyl)-, heptyl ester.

Find more compounds similar to 2,2'-Azo-1,3,4-thiadiazol-5-one.

Sources

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