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60093-10-9

Basic Information
CAS No.: 60093-10-9
Name: 3-AMINO-5-METHYLTHIO-1,2,4-THIADIAZOLE
Molecular Structure:
Molecular Structure of 60093-10-9 (3-AMINO-5-METHYLTHIO-1,2,4-THIADIAZOLE)
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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  • 3-AMINO-5-METHYLTHIO-[1,2,4]THIADIAZOLE

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  • 5-methylsulfanyl-1,2,4-thiadiazol-3-amine

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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