ChemSpider 2D Image | S-Methyl [(1-methoxy-1H-indol-3-yl)methyl]carbamothioate | C12H14N2O2S

S-Methyl [(1-methoxy-1H-indol-3-yl)methyl]carbamothioate

  • Molecular FormulaC12H14N2O2S
  • Average mass250.317 Da
  • Monoisotopic mass250.077591 Da
  • ChemSpider ID28674925

More details:

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

[(1-Méthoxy-1H-indol-3-yl)méthyl]carbamothioate de S-méthyle [French] [ACD/IUPAC Name]
113900-63-3 [RN]
CARBAMOTHIOIC ACID, [(1-METHOXY-1H-INDOL-3-YL)METHYL]-, S-METHYL ESTER
Carbamothioic acid, N-[(1-methoxy-1H-indol-3-yl)methyl]-, S-methyl ester [ACD/Index Name]
S-Methyl [(1-methoxy-1H-indol-3-yl)methyl]carbamothioate [ACD/IUPAC Name]
S-Methyl-[(1-methoxy-1H-indol-3-yl)methyl]carbamothioat [German] [ACD/IUPAC Name]
1-Methoxybrassitin
Methoxybrassitin
Methoxybrassitin,(1-Methoxy-1H-indol-3-ylmethyl)-thiocarbami c acid S-methyl ester
N-[(1-methoxy-1H-indol-3-yl)methyl](methylsulfanyl)formamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.608
Molar Refractivity: 69.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.91
ACD/KOC (pH 5.5): 396.25
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.91
ACD/KOC (pH 7.4): 396.24
Polar Surface Area: 69 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 200.8±7.0 cm3

Click to predict properties on the Chemicalize site


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