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| Name |
1,2-Benzisothiazolin-3-one,2,2'-[(methylimino)diethylene]di-, 1,1,1',1'-tetraoxide (8CI) |
EINECS | N/A |
| CAS No. | 7145-98-4 | Density | 1.52g/cm3 |
| PSA | 128.90000 | LogP | 2.64500 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C19H19N3O6S2 | Boiling Point | 676.9 °C at 760 mmHg |
| Molecular Weight | 449.508 | Flash Point | 363.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,2-Benzisothiazolin-3-one,2,2'-[(methylimino)diethylene]bis-, 1,1,1',1'-tetraoxide (6CI,7CI);NSC 15629; |
1,2-Benzisothiazolin-3-one,2,2'-[(methylimino)diethylene]di-, 1,1,1',1'-tetraoxide (8CI) Specification
The 1,2-Benzisothiazolin-3-one,2,2'-[(methylimino)diethylene]di-, 1,1,1',1'-tetraoxide (8CI), with CAS registry number 7145-98-4, has the systematic name of 2,2'-[(methylimino)diethane-2,1-diyl]bis(1,2-benzothiazol-3(2H)-one) 1,1,1',1'-tetraoxide. And the chemical formula of this chemical is C19H19N3O6S2.
Physical properties of 1,2-Benzisothiazolin-3-one,2,2'-[(methylimino)diethylene]di-, 1,1,1',1'-tetraoxide (8CI): (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 9; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 128.9 Å2; (7)Index of Refraction: 1.661; (8)Molar Refractivity: 109.29 cm3; (9)Molar Volume: 295.6 cm3; (10)Polarizability: 43.32×10-24cm3; (11)Surface Tension: 66.4 dyne/cm; (12)Density: 1.52 g/cm3; (13)Flash Point: 363.2 °C; (14)Enthalpy of Vaporization: 99.38 kJ/mol; (15)Boiling Point: 676.9 °C at 760 mmHg; (16)Vapour Pressure: 3.51E-18 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1S(=O)(=O)N2CCN(C)CCN4C(=O)c3ccccc3S4(=O)=O
(2)InChI: InChI=1/C19H19N3O6S2/c1-20(10-12-21-18(23)14-6-2-4-8-16(14)29(21,25)26)11-13-22-19(24)15-7-3-5-9-17(15)30(22,27)28/h2-9H,10-13H2,1H3
(3)InChIKey: PVUCFNGTVZMSGV-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C19H19N3O6S2/c1-20(10-12-21-18(23)14-6-2-4-8-16(14)29(21,25)26)11-13-22-19(24)15-7-3-5-9-17(15)30(22,27)28/h2-9H,10-13H2,1H3
(5)Std. InChIKey: PVUCFNGTVZMSGV-UHFFFAOYSA-N
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