ChemSpider 2D Image | alpha-endosulfan | C9H6Cl6O3S


  • Molecular FormulaC9H6Cl6O3S
  • Average mass406.925 Da
  • Monoisotopic mass403.816895 Da
  • ChemSpider ID32700852
  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1R,2S,8R,9S)-1,9,10,11,12,12-Hexachlor-4,6-dioxa-5-thiatricyclo[,8]dodec-10-en-5-oxid [German] [ACD/IUPAC Name]
(1R,2S,8R,9S)-1,9,10,11,12,12-Hexachloro-4,6-dioxa-5-thiatricyclo[,8]dodec-10-ene 5-oxide [ACD/IUPAC Name]
(3α,5α β,6α,9α,9a β)-6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3-oxide [ISO]
5-Oxyde de (1R,2S,8R,9S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5-thiatricyclo[,8]dodéc-10-ène [French] [ACD/IUPAC Name]
6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide, (5aR,6S,9R,9aS)- [ACD/Index Name]
959-98-8 [RN]
Endosulfan I
α-endosulfan [ISO]
115459-37-5 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.675
Molar Refractivity: 78.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 42 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 75.0±5.0 dyne/cm
Molar Volume: 208.7±5.0 cm3

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