ChemSpider 2D Image | (4S,6S,4'R,6'S)-3,3'-(1,2-Ethanediyl)bis(4,6-dimethyl-1,3,5-thiadiazinane-2-thione) | C12H22N4S4

(4S,6S,4'R,6'S)-3,3'-(1,2-Ethanediyl)bis(4,6-dimethyl-1,3,5-thiadiazinane-2-thione)

  • Molecular FormulaC12H22N4S4
  • Average mass350.590 Da
  • Monoisotopic mass350.072723 Da
  • ChemSpider ID34991205
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(4S,6S,4'R,6'S)-3,3'-(1,2-Ethandiyl)bis(4,6-dimethyl-1,3,5-thiadiazinan-2-thion) [German] [ACD/IUPAC Name]
(4S,6S,4'R,6'S)-3,3'-(1,2-Ethanediyl)bis(4,6-dimethyl-1,3,5-thiadiazinane-2-thione) [ACD/IUPAC Name]
(4S,6S,4'R,6'S)-3,3'-(1,2-Éthanediyl)bis(4,6-diméthyl-1,3,5-thiadiazinane-2-thione) [French] [ACD/IUPAC Name]
2H-1,3,5-Thiadiazine-2-thione, 3,3'-(1,2-ethanediyl)bis[tetrahydro-4,6-dimethyl-, (4S,6S,4'R,6'S)- [ACD/Index Name]
3773-49-7 [RN]
Milneb [BSI]
UNII-1GJG42DIN4

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

Density: 1.4±0.1 g/cm3
Boiling Point: 480.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 244.5±31.5 °C
Index of Refraction: 1.690
Molar Refractivity: 98.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.16
ACD/KOC (pH 5.5): 217.52
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.71
ACD/KOC (pH 7.4): 226.74
Polar Surface Area: 145 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 258.4±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement