ChemSpider 2D Image | N-Allyl-5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine | C12H13N3OS

N-Allyl-5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine

  • Molecular FormulaC12H13N3OS
  • Average mass247.316 Da
  • Monoisotopic mass247.077927 Da
  • ChemSpider ID21801424

More details:






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

1,3,4-Thiadiazol-2-amine, 5-(3-methoxyphenyl)-N-2-propen-1-yl- [ACD/Index Name]
1134335-20-8 [RN]
5-(3-methoxyphenyl)-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine
N-Allyl-5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amin [German] [ACD/IUPAC Name]
N-Allyl-5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine [ACD/IUPAC Name]
N-Allyl-5-(3-méthoxyphényl)-1,3,4-thiadiazol-2-amine [French] [ACD/IUPAC Name]
[5-(3-methoxyphenyl)(1,3,4-thiadiazol-2-yl)]prop-2-enylamine
5-(3-methoxyphenyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine

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

MFCD00611171 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 399.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 195.5±30.7 °C
Index of Refraction: 1.616
Molar Refractivity: 70.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 173.29
ACD/KOC (pH 5.5): 1393.32
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 173.38
ACD/KOC (pH 7.4): 1394.06
Polar Surface Area: 75 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 202.2±3.0 cm3

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