Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1,2,4-Thiadiazol-3(2H)-one,5-(methylthio)- |
EINECS | N/A |
CAS No. | 56409-41-7 | Density | 1.7 g/cm3 |
PSA | 99.55000 | LogP | 0.96560 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 22-36 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
3-Hydroxy-5-methylthio-1,2,4-thiadiazole; |
Article Data | 6 |
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