ChemSpider 2D Image | N~2~-(1,1-Dioxidotetrahydro-3-thiophenyl)-5-nitro-2,4-pyrimidinediamine | C8H11N5O4S

N2-(1,1-Dioxidotetrahydro-3-thiophenyl)-5-nitro-2,4-pyrimidinediamine

  • Molecular FormulaC8H11N5O4S
  • Average mass273.269 Da
  • Monoisotopic mass273.053162 Da
  • ChemSpider ID26305084

More details:

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

2,4-Pyrimidinediamine, 5-nitro-N2-(tetrahydro-1,1-dioxido-3-thienyl)- [ACD/Index Name]
N2-(1,1-Dioxidotetrahydro-3-thiophenyl)-5-nitro-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
N2-(1,1-Dioxidotetrahydro-3-thiophenyl)-5-nitro-2,4-pyrimidinediamine [ACD/IUPAC Name]
N2-(1,1-Dioxydotétrahydro-3-thiophényl)-5-nitro-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
1257553-81-3 [RN]
2-N-(1,1-dioxothiolan-3-yl)-5-nitropyrimidine-2,4-diamine
3-((4-amino-5-nitropyrimidin-2-yl)amino)tetrahydrothiophene 1,1-dioxide
3-[(4-amino-5-nitropyrimidin-2-yl)amino]-1λ6-thiolane-1,1-dione
N*2*-(1,1-Dioxo-tetrahydro-1λ*6*-thiophen-3-yl)-5-nitro-pyrimidine-2,4-diamine

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

Density: 1.7±0.1 g/cm3
Boiling Point: 668.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 358.2±34.3 °C
Index of Refraction: 1.682
Molar Refractivity: 60.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.28
ACD/LogD (pH 5.5): -0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.03
ACD/LogD (pH 7.4): -0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.05
Polar Surface Area: 152 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 90.4±3.0 dyne/cm
Molar Volume: 160.8±3.0 cm3

Click to predict properties on the Chemicalize site


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