This chemical is called Dithiobis(methylcarbamic acid) bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester, and it can also be named as Biscarbofuran N,N'-disulfide. With the molecular formula of C24H28N2O6S2, its molecular weight is 504.62. The CAS registry number of this chemical is 39995-74-9, and its classification codes are Agricultural Chemical; Insecticide.
Other characteristics of the Dithiobis(methylcarbamic acid) bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester can be summarised as followings: (1)ACD/LogP: 6.75; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.75; (4)ACD/LogD (pH 7.4): 6.75; (5)ACD/BCF (pH 5.5): 79341.15; (6)ACD/BCF (pH 7.4): 79341.15; (7)ACD/KOC (pH 5.5): 111851.34; (8)ACD/KOC (pH 7.4): 111851.34; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 128.14 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 133.55 cm3; (15)Molar Volume: 385.1 cm3; (16)Polarizability: 52.94×10-24cm3; (17)Surface Tension: 54.3 dyne/cm; (18)Density: 1.31 g/cm3; (19)Flash Point: 312 °C; (20)Enthalpy of Vaporization: 88.32 kJ/mol; (21)Boiling Point: 592.2 °C at 760 mmHg; (22)Vapour Pressure: 5.36E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(Oc2cc1c(OC(C)(C)C1)cc2)N(SSN(C(=O)Oc4cccc3c4OC(C3)(C)C)C)C
2.InChI: InChI=1/C24H28N2O6S2/c1-23(2)14-16-12-17(10-11-18(16)31-23)29-21(27)25(5)33-34-26(6)22(28)30-19-9-7-8-15-13-24(3,4)32-20(15)19/h7-12H,13-14H2,1-6H3
3.InChIKey: RNNGCAGZVZIHNF-UHFFFAOYAU
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | > 100mg/kg (100mg/kg) | Journal of Agricultural and Food Chemistry. Vol. 29, Pg. 1280, 1981. |
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