Found 11 results

Search term: MF = 'C_{9}H_{12}N_{4}O_{6}S_{2}'
ChemSpider 2D Image | (4S)-1-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfonyl]-4-hydroxy-L-proline | C9H12N4O6S2

(4S)-1-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfonyl]-4-hydroxy-L-proline

  • Molecular FormulaC9H12N4O6S2
  • Average mass336.345 Da
  • Monoisotopic mass336.019836 Da
  • ChemSpider ID50339465

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-1-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfonyl]-4-hydroxy-L-prolin [German] [ACD/IUPAC Name]
(4S)-1-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfonyl]-4-hydroxy-L-proline [ACD/IUPAC Name]
(4S)-1-[(5-Acétamido-1,3,4-thiadiazol-2-yl)sulfonyl]-4-hydroxy-L-proline [French] [ACD/IUPAC Name]
L-Proline, 1-[[5-(acetylamino)-1,3,4-thiadiazol-2-yl]sulfonyl]-4-hydroxy-, (4S)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 70.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -3.03
ACD/LogD (pH 5.5): -3.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 112.4±3.0 dyne/cm
Molar Volume: 185.3±3.0 cm3

Click to predict properties on the Chemicalize site


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