1,2,4-Thiadiazol-3(2H)-one,5-(methylthio)- supplier

Name
3-HYDROXY-5-METHYLMERCAPTO-1,2,4-THIADIAZOLE
EINECS
CAS No. 56409-41-7
Article Data6
CAS DataBase
Density 1.7 g/cm³
Solubility
Melting Point 158 °C
Formula C₃H₄N₂OS₂
Boiling Point 343.3 °C at 760 mmHg
Molecular Weight 148.21
Flash Point 161.4 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xn
Synonyms 3-Hydroxy-5-methylthio-1,2,4-thiadiazole;
PSA 99.55000
LogP 0.96560

1,2,4-Thiadiazol-3(2H)-one,5-(methylthio)- Specification

This chemical is called 1,2,4-Thiadiazol-3(2H)-one,5-(methylthio)-, and its systematic name is 5-(methylsulfanyl)-1,2,4-thiadiazol-3(2H)-one. With the molecular formula of C₃H₄N₂OS₂, its product category is Thiol. The CAS registry number of this chemical is 56409-41-7. Additionally, this chemical should be sealed in the cool and dry place.

Other characteristics of the 1,2,4-Thiadiazol-3(2H)-one,5-(methylthio)- can be summarised as followings: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.13; (4)ACD/LogD (pH 7.4): -1.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.77; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 83.27 Å²; (13)Index of Refraction: 1.773; (14)Molar Refractivity: 36.21 cm³; (15)Molar Volume: 86.8 cm³; (16)Polarizability: 14.35×10^-24cm³; (17)Surface Tension: 71 dyne/cm; (18)Density: 1.7 g/cm³; (19)Flash Point: 161.4 °C; (20)Enthalpy of Vaporization: 61.03 kJ/mol; (21)Boiling Point: 343.3 °C at 760 mmHg; (22)Vapour Pressure: 3.59E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1/N=C(/SC)SN1
2.InChI: InChI=1/C3H4N2OS2/c1-7-3-4-2(6)5-8-3/h1H3,(H,5,6)
3.InChIKey: UOGIBRBPAGZREF-UHFFFAOYAG

Product Name

3-HYDROXY-5-METHYLMERCAPTO-1,2,4-THIADIAZOLE

1,2,4-Thiadiazol-3(2H)-one,5-(methylthio)- Specification

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