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| CAS No.: | 60093-10-9 |
|---|---|
| Name: | 3-AMINO-5-METHYLTHIO-1,2,4-THIADIAZOLE |
| Molecular Structure: | |
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| Formula: | C3H5N3S2 |
| Molecular Weight: | 147.225 |
| Synonyms: | 3-Amino-5-(methylthio)-1,2,4-thiadiazole; |
| Density: | 1.48 g/cm3 |
| Melting Point: | 156 °C |
| Boiling Point: | 318.1 °C at 760 mmHg |
| Flash Point: | 146.2 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-43 |
| Safety: | 36/37 |
| PSA: | 105.34000 |
| LogP: | 1.42340 |
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- Total:12 Page 1 of 1 1
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Specification
This chemical is called 1,2,4-Thiadiazol-3-amine,5-(methylthio)-, and its systematic name is 5-(methylsulfanyl)-1,2,4-thiadiazol-3-amine. With the molecular formula of C3H5N3S2, its molecular weight is 147.22. The CAS registry number of this chemical is 60093-10-9. Additionally, its product category is Thiol. It should be sealed in the cool and dry place, away from water.
Other characteristics of the 1,2,4-Thiadiazol-3-amine,5-(methylthio)- can be summarised as followings: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 2.71; (6)ACD/BCF (pH 7.4): 2.71; (7)ACD/KOC (pH 5.5): 70.98; (8)ACD/KOC (pH 7.4): 71; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 82.56 Å2; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 36.74 cm3; (15)Molar Volume: 99.2 cm3; (16)Polarizability: 14.56×10-24cm3; (17)Surface Tension: 83.3 dyne/cm; (18)Density: 1.48 g/cm3; (19)Flash Point: 146.2 °C; (20)Enthalpy of Vaporization: 55.96 kJ/mol; (21)Boiling Point: 318.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000369 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: S(c1nc(ns1)N)C
2.InChI: InChI=1/C3H5N3S2/c1-7-3-5-2(4)6-8-3/h1H3,(H2,4,6)
3.InChIKey: XPYZCFCNOSTQFY-UHFFFAOYAY