Chemical Properties of 4,4'-Dibenzyl-[2,2'-azo-1,3,4-thiadiazol-5-one] (CAS 109511-03-7)

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

InChI
InChI=1S/C18H14N6O2S2/c25-17-23(11-13-7-3-1-4-8-13)21-15(27-17)19-20-16-22-24(18(26)28-16)12-14-9-5-2-6-10-14/h1-10H,11-12H2/b20-19+
InChI Key
OHBFGUBBDBYEPD-FMQUCBEESA-N
Formula
C18H14N6O2S2
SMILES
O=c1sc(N=Nc2nn(Cc3ccccc3)c(=O)s2)nn1Cc1ccccc1
Molecular Weight1
410.47
CAS
109511-03-7
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 0.8987 Relay (1.0) Calculated Property
Δf 602.71 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas 529.27 kJ/mol Relay (1.0) Calculated Property
Δvap 147.22 kJ/mol Relay (1.0) Calculated Property
IE 8.56 eV Relay (1.0) Calculated Property
log10WS -5.50 Relay (1.0) Calculated Property
logPoct/wat 3.435 Crippen Calculated Property
McVol 278.060 ml/mol McGowan Calculated Property
Pc 3000.61 kPa Relay (1.0-beta) Calculated Property
Tboil 742.14 K Relay (1.0) Calculated Property
Tc 1133.68 K Relay (1.0) Calculated Property
Tfus 466.38 K Relay (1.0) Calculated Property
Vc 1.030 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

1-Methyladenine riboside, TMS. 1-Methyladenosine,tris(trimethylsilyl) ether. Adenine, 1-benzyl-9-cyclopentyl-. 2-Amino-1-propanol, ferrocenylboronate. Cobalt,bis[(1,2,3,4,5,6-«eta»)-1-phenylboratabenzene]-. 1-Phenylcarbamoyl-7-styryl-2,3-phthaloylpyrrocoline. 3-Amino-1-propanol, ferrocenylboronate. Poligodial + o-Tyr (ethyl ester) adduct (R,S). Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 2. Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 1. Dimetindene M (nor, OH), acetylated. Glyceofuran, TMS. adenosine-2'-monophosphate, TMS. Poligodial + p-Tyr (ethyl ester) adduct (S). Poligodial + Phe (methyl ester) adduct, (R).

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

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.