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7330-33-8

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Basic Information
CAS No.: 7330-33-8
Name: di-tert-butyl hexasulphide
Molecular Structure:
Molecular Structure of 7330-33-8 (di-tert-butyl hexasulphide)
Formula: C8H18S6
Molecular Weight: 306.6185
Synonyms: Hexasulfide,bis(1,1-dimethylethyl) (9CI);tert-Butyl hexasulfide (7CI,8CI);Di-tert-butyl perhexasulfide;
EINECS: 230-825-3
Density: 1.254 g/cm3
Boiling Point: 395.4 °C at 760 mmHg
Flash Point: 191.2 °C
PSA: 151.80000
LogP: 6.55760
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Specification

The Hexasulfide,bis(1,1-dimethylethyl)-, with the CAS registry number 7330-33-8, is also known as Di-tert-butyl perhexasulfide. Its EINECS registry number is 230-825-3. This chemical's molecular formula is C8H18S6 and molecular weight is 306.6185. What's more, its systematic name is Di-tert-butylhexasulfane.

Physical properties about Hexasulfide,bis(1,1-dimethylethyl)- are: (1)ACD/LogP: 8.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.48; (4)ACD/LogD (pH 7.4): 8.48; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 979451.69; (8)ACD/KOC (pH 7.4): 979451.69; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 151.8 Å2; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 87.02 cm3; (15)Molar Volume: 244.5 cm3; (16)Polarizability: 34.49×10-24 cm3; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.254 g/cm3; (19)Flash Point: 191.2 °C; (20)Enthalpy of Vaporization: 62.04 kJ/mol; (21)Boiling Point: 395.4 °C at 760 mmHg; (22)Vapour Pressure: 4.2E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: S(SSSSSC(C)(C)C)C(C)(C)C
(2)InChI: InChI=1/C8H18S6/c1-7(2,3)9-11-13-14-12-10-8(4,5)6/h1-6H3
(3)InChIKey: ISVXFCLKAVEYPW-UHFFFAOYAJ