The Endosulfan I with the CAS number 959-98-8 is also called 6,9-Methano-2,4,3-benzodioxathiepin,6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide, (3a,5ab,6a,9a,9ab)-. Its molecular formula is C₉H₆Cl₆O₃S.This chemical is a polychlorinated compound used for controlling a variety of insects. This chemical belongs to the following product categories: (1)EA - EOHeterocyclic Building Blocks; (2)S-ContainingMethod Specific; (3)2000/60/ECMore...Close...; (4)Others; (5)2000/60/EC; (6)AcaricidesPesticides; (7)Alpha sort; (8)CyclodienesPesticides&Metabolites; (9)E; (10)EA - EOMethod Specific; (11)E-GAlphabetic; (12)European Community: ISO and DIN; (13)Insecticides; (14)Pesticides; (15)Pesticides&Metabolites; (16)CyclodienesAlphabetic.

The properties of the chemical are: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 139.54; (6)ACD/BCF (pH 7.4): 139.54; (7)ACD/KOC (pH 5.5): 1193.4; (8)ACD/KOC (pH 7.4): 1193.4; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.74 Å²; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 78.38 cm³; (15)Molar Volume: 208.7 cm³; (16)Polarizability: 31.07×10^-24cm³; (17)Surface Tension: 74.9 dyne/cm; (18)Enthalpy of Vaporization: 68.12 kJ/mol; (19)Vapour Pressure: 7.42×10^-8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC3(Cl)[C@]1(Cl)C(/Cl)=C(/Cl)[C@@]3(Cl)[C@@H]2COS(=O)OC[C@H]12
(2)InChI: InChI=1/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7+,8-,19+
(3)InChIKey: RDYMFSUJUZBWLH-HBJABFJCBW

The toxicity data is as follows: