2,5-Bis(methylthio)-1,3,4-thiadiazole supplier

Name
3-oxo-1,5-petanedithioylbis(2-thiazole)
EINECS
CAS No. 7653-69-2
Article Data1
CAS DataBase
Density 1.413 g/cm³
Solubility
Melting Point
Formula C₄H₆N₂S₃
Boiling Point 311.253 °C at 760 mmHg
Molecular Weight 178.303
Flash Point 142.041 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,5-Bis(methylsulfanyl)-1,3,4-thiadiazole;1,3,4-Thiadiazole, 2,5-bis(methylthio)-;3-Oxo-1,5-petanedithioylbis(2-thiazole);
PSA 104.62000
LogP 1.98190

2,5-Bis(methylthio)-1,3,4-thiadiazole Specification

The 2,5-Bis(methylthio)-1,3,4-thiadiazole, with the CAS registry number 7653-69-2, is also known as 1,3,4-Thiadiazole, 2,5-bis(methylthio)-. This chemical's molecular formula is C₄H₆N₂S₃ and molecular weight is 178.30. What's more, both its IUPAC name and systematic name are the same which is called 2,5-Bis(methylsulfanyl)-1,3,4-thiadiazole.

Physical properties about 2,5-Bis(methylthio)-1,3,4-thiadiazole are: (1)ACD/LogP: 2.533; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4) ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 49.56; (6)ACD/BCF (pH 7.4): 49.56; (7)ACD/KOC (pH 5.5): 568.86; (8)ACD/KOC (pH 7.4): 568.86; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 104.62 Å²; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 45.769 cm³; (15)Molar Volume: 126.18 cm³; (16)Polarizability: 18.144×10^-24 cm³; (17)Surface Tension: 68.28 dyne/cm; (18)Density: 1.413 g/cm³; (19)Flash Point: 142.041 °C; (20)Enthalpy of Vaporization: 53.013 kJ/mol; (21)Boiling Point: 311.253 °C at 760 mmHg; (22)Vapour Pressure: 0.00100 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S(c1nnc(SC)s1)C
(2) InChI: InChI=1S/C4H6N2S3/c1-7-3-5-6-4(8-2)9-3/h1-2H3
(3) InChIKey: IUVACELPFXBLHY-UHFFFAOYSA-N

Product Name

3-oxo-1,5-petanedithioylbis(2-thiazole)

2,5-Bis(methylthio)-1,3,4-thiadiazole Specification

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