Dibutyl 2,2-dithiobisbenzoate supplier

Name
dibutyl 2,2'-dithiobisbenzoate
EINECS 254-389-9
CAS No. 39264-02-3
Density 1.2 g/cm³
Solubility
Melting Point
Formula C₂₂H₂₆O₄S₂
Boiling Point 513.7 °C at 760 mmHg
Molecular Weight 418.578
Flash Point 244.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoic acid, 2,2'-dithiobis-, dibutyl ester;
PSA 103.20000
LogP 6.39980

Dibutyl 2,2-dithiobisbenzoate Specification

The Dibutyl 2, 2-dithiobisbenzoate, with the CAS registry number 39264-02-3, is also known as Benzoic acid, 2,2'-dithiobis-, dibutyl ester. Its EINECS registry number is 254-389-9. This chemical's molecular formula is C₂₂H₂₆O₄S₂ and molecular weight is 418.5694. What's more, its systematic name is Butyl 2-(2-butoxycarbonylphenyl)disulfanylbenzoate.

Physical properties about Dibutyl 2, 2-dithiobisbenzoate are: (1)ACD/LogP: 7.95; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.95; (4)ACD/LogD (pH 7.4): 7.95; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 13; (8)Polar Surface Area: 103.2 Å²; (9)Index of Refraction: 1.593; (10)Molar Refractivity: 117.5 cm³; (11)Molar Volume: 346.3 cm³; (12)Polarizability: 46.58×10^-24 cm³; (13)Surface Tension: 52 dyne/cm; (14)Density: 1.2 g/cm³; (15)Flash Point: 244.9 °C; (16)Enthalpy of Vaporization: 78.52 kJ/mol; (17)Boiling Point: 513.7 °C at 760 mmHg; (18)Vapour Pressure: 1.15E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCCCOC(=O)c2ccccc2SSc1ccccc1C(=O)OCCCC
(2) InChI: InChI=1/C22H26O4S2/c1-3-5-15-25-21(23)17-11-7-9-13-19(17)27-28-20-14-10-8-12-18(20)22(24)26-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3
(3) InChIKey: DYLHXXARSCWPOJ-UHFFFAOYAN

Product Name

dibutyl 2,2'-dithiobisbenzoate

Dibutyl 2,2-dithiobisbenzoate Specification

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