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

Name
2,5-bis(dodecyldithio)-1,3,4-thiadiazole
EINECS 236-911-7
CAS No. 13539-12-3
Density 1.07 g/cm³
Solubility
Melting Point
Formula C₂₆H₅₀N₂S₅
Boiling Point 634.6 °C at 760 mmHg
Molecular Weight 551.026
Flash Point 337.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,5-Bis(dodecyldithio)-1,3,4-thiadiazole;2,5-Bis(dodecyldisulfanyl)-1,3,4-thiadiazole;
PSA 155.22000
LogP 11.86050

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

Product Name

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

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

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