Chemical Properties of Pyrimidine, 6-amino-4-benzyl(cyano)amino-2-benzylthio- (CAS 98322-50-0)

Pyrimidine, 6-amino-4-benzyl(cyano)amino-2-benzylthio-

InChI
InChI=1S/C19H17N5S/c20-14-24(12-15-7-3-1-4-8-15)18-11-17(21)22-19(23-18)25-13-16-9-5-2-6-10-16/h1-11H,12-13H2,(H2,21,22,23)
InChI Key
YBXNDSSAEPQPNE-UHFFFAOYSA-N
Formula
C19H17N5S
SMILES
N#CN(Cc1ccccc1)c1cc(N)nc(SCc2ccccc2)n1
Molecular Weight1
347.44
CAS
98322-50-0
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Physical Properties

Property Value Unit Source
ω 0.7800 Relay (1.0) Calculated Property
ΔfG° 699.67 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 496.42 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 142.84 kJ/mol Relay (1.0) Calculated Property
IE 7.88 eV Relay (1.0) Calculated Property
log10WS -5.65 Relay (1.0) Calculated Property
logPoct/wat 3.839 Crippen Calculated Property
McVol 264.940 ml/mol McGowan Calculated Property
Pc 2047.77 kPa Relay (1.0-beta) Calculated Property
Tboil 727.26 K Relay (1.0) Calculated Property
Tc 1102.73 K Relay (1.0) Calculated Property
Tfus 418.03 K Relay (1.0) Calculated Property
Vc 0.934 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Galathan, 1,2,3,12,15,16-hexadehydro-9,10-[methylenebis(oxy)]-. inosine-5'-monophosphate, TMS. Oxymorphone, bis(trimethylsilyl) ether. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Oxycodone. Bicyclohexyl-1,1'-diol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. 5,6-Dihydrouracil riboside, TMS. xanthosine-5'-monophosphate, TMS. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-acetyl. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-acetyl. Sophoramine. Oxymorphone.

Find more compounds similar to Pyrimidine, 6-amino-4-benzyl(cyano)amino-2-benzylthio-.

Sources

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