Chemical Properties of 3-Acetyl-5-benzylmercapto-1,3,4-thiadiazolidone-2-azine (CAS 114383-24-3)

3-Acetyl-5-benzylmercapto-1,3,4-thiadiazolidone-2-azine

InChI
InChI=1S/C22H20N6O2S4/c1-15(29)27-19(33-21(25-27)31-13-17-9-5-3-6-10-17)23-24-20-28(16(2)30)26-22(34-20)32-14-18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3/b23-19-,24-20+
InChI Key
VOTOPRDWEDFYLS-KDMDJZHMSA-N
Formula
C22H20N6O2S4
SMILES
CC(=O)n1nc(SCc2ccccc2)sc1=NN=c1sc(SCc2ccccc2)nn1C(C)=O
Molecular Weight1
528.69
CAS
114383-24-3
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Physical Properties

Property Value Unit Source
ω 0.9820 Relay (1.0) Calculated Property
ΔfG° 642.74 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 470.35 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 163.05 kJ/mol Relay (1.0) Calculated Property
IE 7.96 eV Relay (1.0) Calculated Property
log10WS -6.69 Relay (1.0) Calculated Property
logPoct/wat 4.524 Crippen Calculated Property
McVol 362.820 ml/mol McGowan Calculated Property
Pc 1742.38 kPa Relay (1.0-beta) Calculated Property
Tboil 772.26 K Relay (1.0) Calculated Property
Tc 1189.14 K Relay (1.0) Calculated Property
Tfus 445.13 K Relay (1.0) Calculated Property
Vc 1.276 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

5-Benzylmercapto-1,3,4-thiadiazolidone-2-azine. Morazone. Metergoline. Carteolol hydroxy, acetylated. «beta»-D-Glucopyranoside, 2,3,4,6-tetrakis-(O-trimethylsilyl)-1-(trimethylsilyl)-1H-indole-3-acetate. Mepindolol, acetylated. 9H-Purin-2-amine, N-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9-[2,3,5-tris-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-. Quinine, trimethylsilyl ether. xanthosine-5'-monophosphate, TMS. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Sophoramine. inosine-5'-monophosphate, TMS. guanosine, TMS. Cytidine, buto-oxime-TMS derivative. Cytidine, metho-oxime-TMS derivative.

Find more compounds similar to 3-Acetyl-5-benzylmercapto-1,3,4-thiadiazolidone-2-azine.

Sources

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