Found 34 results

Search term: MF = 'C_{8}H_{6}BrN_{5}OS'
ChemSpider 2D Image | 6-Amino-2-[(5-bromo-2-pyrimidinyl)sulfanyl]-4(3H)-pyrimidinone | C8H6BrN5OS

6-Amino-2-[(5-bromo-2-pyrimidinyl)sulfanyl]-4(3H)-pyrimidinone

  • Molecular FormulaC8H6BrN5OS
  • Average mass300.135 Da
  • Monoisotopic mass298.947632 Da
  • ChemSpider ID43664266

More details:

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

4(3H)-Pyrimidinone, 6-amino-2-[(5-bromo-2-pyrimidinyl)thio]- [ACD/Index Name]
6-Amino-2-[(5-brom-2-pyrimidinyl)sulfanyl]-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
6-Amino-2-[(5-bromo-2-pyrimidinyl)sulfanyl]-4(3H)-pyrimidinone [ACD/IUPAC Name]
6-Amino-2-[(5-bromo-2-pyrimidinyl)sulfanyl]-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.853
Molar Refractivity: 64.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.23
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.78
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.88
Polar Surface Area: 119 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 85.1±7.0 dyne/cm
Molar Volume: 144.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement