ChemSpider 2D Image | ({5-[(1H-Pyrrol-3-ylsulfonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid | C8H8N4O4S3

({5-[(1H-Pyrrol-3-ylsulfonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid

  • Molecular FormulaC8H8N4O4S3
  • Average mass320.368 Da
  • Monoisotopic mass319.970764 Da
  • ChemSpider ID71240195

More details:

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

({5-[(1H-Pyrrol-3-ylsulfonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid [ACD/IUPAC Name]
({5-[(1H-Pyrrol-3-ylsulfonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[5-[(1H-pyrrol-3-ylsulfonyl)amino]-1,3,4-thiadiazol-2-yl]thio]- [ACD/Index Name]
Acide ({5-[(1H-pyrrol-3-ylsulfonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acétique [French] [ACD/IUPAC 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: 650.4±61.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 347.2±33.2 °C
Index of Refraction: 1.744
Molar Refractivity: 70.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): -2.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 187 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 119.3±5.0 dyne/cm
Molar Volume: 174.2±5.0 cm3

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