Chemical Properties of 1-(2-Mesitylenesulfonyl)-1,2,4-triazole (CAS 54230-59-0)

1-(2-Mesitylenesulfonyl)-1,2,4-triazole

InChI
InChI=1S/C11H13N3O2S/c1-8-4-9(2)11(10(3)5-8)17(15,16)14-7-12-6-13-14/h4-7H,1-3H3
InChI Key
XNKYPZJMRHXJJQ-UHFFFAOYSA-N
Formula
C11H13N3O2S
SMILES
Cc1cc(C)c(S(=O)(=O)n2cncn2)c(C)c1
Molecular Weight1
251.31
CAS
54230-59-0
Other Names
  • N-Mesitylenesulfonyl-1,2,4-triazole
  • Mesitylenesulfonyl-1H-1,2,4-triazole
  • 1-(2-Mesitylsulfonyl)-1H-1,2,4-triazole
  • 1H-1,2,4-Triazole, 1-[(2,4,6-trimethylphenyl)sulfonyl]-
  • mesityl 1,2,4-triazole-1-sulphonate
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Physical Properties

Property Value Unit Source
ω 0.6480 Relay (1.0) Calculated Property
ΔfG° 159.21 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -54.04 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 97.47 kJ/mol Relay (1.0) Calculated Property
IE 9.07 eV Relay (1.0) Calculated Property
log10WS -3.95 Relay (1.0) Calculated Property
logPoct/wat 1.440 Crippen Calculated Property
McVol 180.660 ml/mol McGowan Calculated Property
Pc 3016.43 kPa Relay (1.0-beta) Calculated Property
Tboil 645.89 K Relay (1.0) Calculated Property
Tc 932.38 K Relay (1.0) Calculated Property
Tfus 404.58 K Relay (1.0) Calculated Property
Vc 0.664 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

N-(Mesitylenesulfonyl)imidazole. Carteolol, acetylated. Hexahydro-3,3,5-trimethyl-2-p-tolyl-1,4,2-diazaphosphorine-2-oxide. Quinapril desethyl 3Me (Quinaprilate 3Me). Serine-lysine-tyrosine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. Morazone. 7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. trans-2,3-Tetralinediol, ferrocenylboronate. Cytidine, methyl-TMS derivative. Quinapril Me. Valine-glutamine-tryptophan-leucine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. 4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide. Carteolol, PFB-TMS. (-)-Bunolol methoxime, PFB-TMS. Quinapril desethyl - H2O Me (Quinaprilate - H2O Me).

Find more compounds similar to 1-(2-Mesitylenesulfonyl)-1,2,4-triazole.

Sources

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