Chemical Properties of 4,4'-Dithiobis(3-benzoylamino-1-butanol benzoate) (CAS 96772-45-1)

4,4'-Dithiobis(3-benzoylamino-1-butanol benzoate)

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InChI
InChI=1S/C36H36N2O6S2/c39-33(27-13-5-1-6-14-27)37-31(21-23-43-35(41)29-17-9-3-10-18-29)25-45-46-26-32(38-34(40)28-15-7-2-8-16-28)22-24-44-36(42)30-19-11-4-12-20-30/h1-20,31-32H,21-26H2,(H,37,39)(H,38,40)
InChI Key
KWXMVCPLUPAUTP-UHFFFAOYSA-N
Formula
C36H36N2O6S2
SMILES
O=C(OCCC(CSSCC(CCOC(=O)c1ccccc1)N=C(O)c1ccccc1)N=C(O)c1ccccc1)c1ccccc1
Molecular Weight1
656.81
CAS
96772-45-1
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Physical Properties

Property Value Unit Source
ΔfH°gas -416.27 kJ/mol Joback Calculated Property
ΔvapH° 176.15 kJ/mol Joback Calculated Property
log10WS -9.34 Crippen Calculated Property
logPoct/wat 7.609 Crippen Calculated Property
McVol 493.740 ml/mol McGowan Calculated Property
Pc 962.08 kPa Joback Calculated Property
Tboil 1756.54 K Joback Calculated Property
Tc 2314.97 K Joback Calculated Property

Similar Compounds

L (-)-2-benzoylamino-1,4-butanediol dibenzoate. 11-Allylcytisine. Methyl-12-cytisine acetate. 7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-E][1,5]diazocin-4-one, 7,7a,8,9,10,11,13,14-octahydro-, [7R-(7«alpha»,7a«alpha»,14«alpha»)]-. 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(3-butenyl)-1,2,3,4,5,6-hexahydro-, (1R)-. Caulophylline. N-acetylcytisine. Cytisine. Camoensidine. Anagyrine. Cytisine, N-formyl-. 2'-Deoxyguanosine, N-trimethylsilyl-, tris(trimethylsilyl) ether. Adenosine, 5'-S-methyl-5'-thio-N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-. Epibaptifoline. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate.

Find more compounds similar to 4,4'-Dithiobis(3-benzoylamino-1-butanol benzoate).

Sources

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