ChemSpider 2D Image | [({5-[(4-Methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}methyl)sulfanyl]acetic acid | C13H13N3O4S2

[({5-[(4-Methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}methyl)sulfanyl]acetic acid

  • Molecular FormulaC13H13N3O4S2
  • Average mass339.390 Da
  • Monoisotopic mass339.034760 Da
  • ChemSpider ID21801571

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

[({5-[(4-Methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}methyl)sulfanyl]acetic acid [ACD/IUPAC Name]
[({5-[(4-Methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}methyl)sulfanyl]essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[[5-[[(4-methoxyphenyl)amino]carbonyl]-1,3,4-thiadiazol-2-yl]methyl]thio]- [ACD/Index Name]
Acide [({5-[(4-méthoxyphényl)carbamoyl]-1,3,4-thiadiazol-2-yl}méthyl)sulfanyl]acétique [French] [ACD/IUPAC Name]
([(5-([(4-METHOXYPHENYL)AMINO]CARBONYL)-1,3,4-THIADIAZOL-2-YL)METHYL]THIO)ACETIC ACID
[1142202-88-7]
{[(5-{[(4-Methoxyphenyl)amino]carbonyl}-1,3,4-thiadiazol-2-yl)methyl]thio}acetic acid
1142202-88-7 [RN]
2-(((5-((4-Methoxyphenyl)carbamoyl)-1,3,4-thiadiazol-2-yl)methyl)thio)acetic acid
2-[[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methylsulfanyl]acetic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD12028250 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.684
Molar Refractivity: 85.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.38
ACD/LogD (pH 7.4): -2.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 74.2±3.0 dyne/cm
Molar Volume: 226.2±3.0 cm3

Click to predict properties on the Chemicalize site






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