Found 36 results

Search term: MF = 'C_{5}H_{4}ClNO_{3}S'
ChemSpider 2D Image | (5-Chloro-3-oxo-1,2-thiazol-2(3H)-yl)acetic acid | C5H4ClNO3S

(5-Chloro-3-oxo-1,2-thiazol-2(3H)-yl)acetic acid

  • Molecular FormulaC5H4ClNO3S
  • Average mass193.608 Da
  • Monoisotopic mass192.960037 Da
  • ChemSpider ID35484664

More details:

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

(5-Chlor-3-oxo-1,2-thiazol-2(3H)-yl)essigsäure [German] [ACD/IUPAC Name]
(5-Chloro-3-oxo-1,2-thiazol-2(3H)-yl)acetic acid [ACD/IUPAC Name]
2(3H)-Isothiazoleacetic acid, 5-chloro-3-oxo- [ACD/Index Name]
Acide (5-chloro-3-oxo-1,2-thiazol-2(3H)-yl)acétique [French] [ACD/IUPAC Name]
(5-Chloro-3-oxo-3H-isothiazol-2-yl)-acetic acid
1365960-52-6 [RN]
2-(5-chloro-3-oxo-1,2-thiazol-2-yl)acetic acid
2-(5-chloro-3-oxoisothiazol-2(3H)-yl)acetic acid
MFCD21647309

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 362.4±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 66.8±6.0 kJ/mol
    Flash Point: 173.0±30.7 °C
    Index of Refraction: 1.673
    Molar Refractivity: 41.3±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.05
    ACD/LogD (pH 5.5): -1.79
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.33
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 83 Å2
    Polarizability: 16.4±0.5 10-24cm3
    Surface Tension: 79.7±5.0 dyne/cm
    Molar Volume: 110.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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