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Search term: MF = 'C_{11}H_{7}NO_{2}S'
ChemSpider 2D Image | 3-(2-Methyl-1,3-benzothiazol-6-yl)-2-propynoic acid | C11H7NO2S

3-(2-Methyl-1,3-benzothiazol-6-yl)-2-propynoic acid

  • Molecular FormulaC11H7NO2S
  • Average mass217.244 Da
  • Monoisotopic mass217.019745 Da
  • ChemSpider ID24182750

More details:

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

2-Propynoic acid, 3-(2-methyl-6-benzothiazolyl)- [ACD/Index Name]
3-(2-Methyl-1,3-benzothiazol-6-yl)-2-propinsäure [German] [ACD/IUPAC Name]
3-(2-Methyl-1,3-benzothiazol-6-yl)-2-propynoic acid [ACD/IUPAC Name]
Acide 3-(2-méthyl-1,3-benzothiazol-6-yl)-2-propynoïque [French] [ACD/IUPAC Name]
3027-99-4 [RN]
6-BENZO[D]THIAZOLEPROPIOLIC ACID 2-METHYL-
6-Benzothiazolepropiolic acid, 2-methyl- (7CI,8CI)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 427.6±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 212.4±23.7 °C
Index of Refraction: 1.706
Molar Refractivity: 58.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 78.3±5.0 dyne/cm
Molar Volume: 150.2±5.0 cm3

Click to predict properties on the Chemicalize site


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