ChemSpider 2D Image | JTZ-132 | C14H18N4O4S2

JTZ-132

  • Molecular FormulaC14H18N4O4S2
  • Average mass370.447 Da
  • Monoisotopic mass370.076935 Da
  • ChemSpider ID32701002

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5S,7E)-7-(Hydroxyimino)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-propyl-4,5,6,7-tetrahydro-2-benzothiophen-1-sulfonamid [German] [ACD/IUPAC Name]
(5S,7E)-7-(Hydroxyimino)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-propyl-4,5,6,7-tetrahydro-2-benzothiophene-1-sulfonamide [ACD/IUPAC Name]
(5S,7E)-7-(Hydroxyimino)-3-(3-méthyl-1,2,4-oxadiazol-5-yl)-5-propyl-4,5,6,7-tétrahydro-2-benzothiophène-1-sulfonamide [French] [ACD/IUPAC Name]
1082241-32-4 [RN]
Benzo[c]thiophene-1-sulfonamide, 4,5,6,7-tetrahydro-7-(hydroxyimino)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5-propyl-, (5S,7E)- [ACD/Index Name]
JTZ-132
S6CB1FW5Z1
UNII:S6CB1FW5Z1
UNII-S6CB1FW5Z1

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 669.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 358.9±34.3 °C
Index of Refraction: 1.752
Molar Refractivity: 89.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 15.07
ACD/KOC (pH 5.5): 242.64
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 14.86
ACD/KOC (pH 7.4): 239.13
Polar Surface Area: 168 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 70.2±7.0 dyne/cm
Molar Volume: 220.2±7.0 cm3

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