ChemSpider 2D Image | Methyl 3-{[(2-carbamimidamido-1,3-thiazol-4-yl)methyl]sulfanyl}propanoate | C9H14N4O2S2

Methyl 3-{[(2-carbamimidamido-1,3-thiazol-4-yl)methyl]sulfanyl}propanoate

  • Molecular FormulaC9H14N4O2S2
  • Average mass274.363 Da
  • Monoisotopic mass274.055817 Da
  • ChemSpider ID14802732

More details:

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

3-{[(2-Carbamimidamido-1,3-thiazol-4-yl)méthyl]sulfanyl}propanoate de méthyle [French] [ACD/IUPAC Name]
76824-14-1 [RN]
METHYL 3-(((2-((DIAMINOMETHYLIDENE)AMINO)THIAZOL-4-YL)METHYL)SULFANYL)PROPANOATE
Methyl 3-{[(2-carbamimidamido-1,3-thiazol-4-yl)methyl]sulfanyl}propanoate [ACD/IUPAC Name]
Methyl-3-{[(2-carbamimidamido-1,3-thiazol-4-yl)methyl]sulfanyl}propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-[[[2-[(aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]-, methyl ester [ACD/Index Name]
3-[[[2-[(Aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]-propanoic acid methyl ester

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

CE161F8RV7 [DBID]
UNII:CE161F8RV7 [DBID]
UNII-CE161F8RV7 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 436.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 217.6±31.5 °C
Index of Refraction: 1.675
Molar Refractivity: 69.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.63
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.49
ACD/KOC (pH 7.4): 33.99
Polar Surface Area: 155 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 62.5±7.0 dyne/cm
Molar Volume: 184.0±7.0 cm3

Click to predict properties on the Chemicalize site


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