Chemical Properties of Semicarbazide, 4-cyclohexyl-1-(4-hydroxy-6-methyl-2-pyrimidinyl)-3-thio-, (keto form) (CAS 116435-06-4)

Semicarbazide, 4-cyclohexyl-1-(4-hydroxy-6-methyl-2-pyrimidinyl)-3-thio-, (keto form)

InChI
InChI=1S/C12H19N5OS/c1-8-7-10(18)15-11(13-8)16-17-12(19)14-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H2,14,17,19)(H2,13,15,16,18)
InChI Key
OZFSMAWJPPLGLE-UHFFFAOYSA-N
Formula
C12H19N5OS
SMILES
Cc1cc(O)nc(NNC(S)=NC2CCCCC2)n1
Molecular Weight1
281.38
CAS
116435-06-4
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Physical Properties

Property Value Unit Source
ω 0.7870 Relay (1.0) Calculated Property
ΔfG° 291.72 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -69.49 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 154.55 kJ/mol Relay (1.0) Calculated Property
IE 7.77 eV Relay (1.0) Calculated Property
log10WS -4.21 Relay (1.0) Calculated Property
logPoct/wat 2.026 Crippen Calculated Property
McVol 213.140 ml/mol McGowan Calculated Property
Pc 3708.86 kPa Relay (1.0-beta) Calculated Property
Tboil 635.41 K Relay (1.0) Calculated Property
Tc 996.09 K Relay (1.0) Calculated Property
Tfus 537.44 K Relay (1.0) Calculated Property
Vc 0.702 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

SCHEMBL9488362. 10-Methoxy-14-methyl-5-oxo-5,7,8,14-tetrahydro-indolo-[2,3-c]-quinazo-[3,2,a]-pyridine. Epibaptifoline. Noscapine. Quinine, trimethylsilyl ether. Baptifoline. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. cis-1,2-Tetralinediol, ferrocenylboronate. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Butorphanol di-TMS derivative. 5,6-Dihydrouracil riboside, TMS. xanthosine-5'-monophosphate, TMS. Hydrastine.

Find more compounds similar to Semicarbazide, 4-cyclohexyl-1-(4-hydroxy-6-methyl-2-pyrimidinyl)-3-thio-, (keto form).

Sources

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