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13539-12-3

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Basic Information
CAS No.: 13539-12-3
Name: 2,5-bis(dodecyldithio)-1,3,4-thiadiazole
Molecular Structure:
Molecular Structure of 13539-12-3 (2,5-bis(dodecyldithio)-1,3,4-thiadiazole)
Formula: C26H50N2S5
Molecular Weight: 551.026
Synonyms: 2,5-Bis(dodecyldithio)-1,3,4-thiadiazole;2,5-Bis(dodecyldisulfanyl)-1,3,4-thiadiazole;
EINECS: 236-911-7
Density: 1.07 g/cm3
Boiling Point: 634.6 °C at 760 mmHg
Flash Point: 337.6 °C
PSA: 155.22000
LogP: 11.86050
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  • 1,3,4-Thiadiazole,2,5-bis(dodecyldithio)-

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    13539-12-3

    1,3,4-Thiadiazole,2,5-bis(dodecyldithio)-

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    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

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  • 1,3,4-Thiadiazole,2,5-bis(dodecyldithio)-

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    1,3,4-Thiadiazole,2,5-bis(dodecyldithio)-

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    factory?direct?sale Application:healing drugs

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  • 2,5-BIS(DODECYLDITHIO)-1,3,4-THIADIAZOLE

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    2,5-BIS(DODECYLDITHIO)-1,3,4-THIADIAZOLE

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    2,5-BIS(DODECYLDITHIO)-1,3,4-THIADIAZOLEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The 1,3,4-Thiadiazole,2,5-bis(dodecyldithio)-, with the CAS registry number 13539-12-3, is also known as 2,5-Bis(dodecyldithio)-1,3,4-thiadiazole. Its EINECS number is 236-911-7. This chemical's molecular formula is C26H50N2S5 and molecular weight is 551.01. What's more, its systematic name is 2,5-Bis(dodecyldisulfanyl)-1,3,4-thiadiazole. 

Physical properties of 1,3,4-Thiadiazole,2,5-bis(dodecyldithio)- are: (1)ACD/LogP: 16.17; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 16.17; (4)ACD/LogD (pH 7.4): 16.17; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 26; (12)Polar Surface Area: 155.22 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 163.68 cm3; (15)Molar Volume: 511.9 cm3; (16)Polarizability: 64.88×10-24cm3; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.07 g/cm3; (19)Flash Point: 337.6 °C; (20)Enthalpy of Vaporization: 90.37 kJ/mol; (21)Boiling Point: 634.6 °C at 760 mmHg; (22)Vapour Pressure: 2.57E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S(Sc1nnc(SSCCCCCCCCCCCC)s1)CCCCCCCCCCCC
(2)InChI: InChI=1S/C26H50N2S5/c1-3-5-7-9-11-13-15-17-19-21-23-29-32-25-27-28-26(31-25)33-30-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
(3)InChIKey: ZBADMMCYTSORHN-UHFFFAOYSA-N