Chemical Properties of 5,5'-Bis-benzylmercapto-[2,2'-azo-1,3,4-thiadiazol]

5,5'-Bis-benzylmercapto-[2,2'-azo-1,3,4-thiadiazol]

InChI
InChI=1S/C18H14N6S4/c1-3-7-13(8-4-1)11-25-17-23-21-15(27-17)19-20-16-22-24-18(28-16)26-12-14-9-5-2-6-10-14/h1-10H,11-12H2/b20-19+
InChI Key
WIKBHKKLPKRXTP-FMQUCBEESA-N
Formula
C18H14N6S4
SMILES
c1ccc(CSc2nnc(N=Nc3nnc(SCc4ccccc4)s3)s2)cc1
Molecular Weight1
442.60
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Physical Properties

Property Value Unit Source
ω 0.7846 Relay (1.0) Calculated Property
ΔfG° 804.80 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 932.15 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 157.07 kJ/mol Relay (1.0) Calculated Property
IE 8.36 eV Relay (1.0) Calculated Property
log10WS -6.78 Relay (1.0) Calculated Property
logPoct/wat 6.390 Crippen Calculated Property
McVol 299.020 ml/mol McGowan Calculated Property
Pc 2950.50 kPa Relay (1.0-beta) Calculated Property
Tboil 728.74 K Relay (1.0) Calculated Property
Tc 1122.01 K Relay (1.0) Calculated Property
Tfus 399.32 K Relay (1.0) Calculated Property
Vc 1.064 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

5-Benzylmercapto-1,3,4-thiadiazolidone-2-azine. 3-Acetyl-5-benzylmercapto-1,3,4-thiadiazolidone-2-azine. N,n'-diacetyl-n,n'-bis-[5-benzylmercapto-1,3,4-thiadiazolyl-2-]hydrazine. Triazolo[4,5-d]pyrimidine, 3h-v-,5-amino-7-benzylthio-3-ethyl-. Indomethacin, methyl ester. 4-Chloro-N-(2-methyl-4-nitrophenyl)-benzenesulfonamide, N-heptafluorobutyryl-. Galipinine. Indomethacin. Dosulepin-M (nor-) AC. Avenaciolide, 6-[2-(2-chlorophenyl)ethyl]-4-demethylene. Imipramine M(HO), acetylated. Trp isoBOC TBDMS. Nortropin, 1-hydroxy-3-«beta»-benzoyl. Dexoxadrol. Dioxadrol.

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

Sources

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