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60093-13-2

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Basic Information
CAS No.: 60093-13-2
Name: 3-AMINO-5-PROPYLTHIO-1,2,4-THIADIAZOLE
Molecular Structure:
Molecular Structure of 60093-13-2 (3-AMINO-5-PROPYLTHIO-1,2,4-THIADIAZOLE)
Formula: C5H9N3S2
Molecular Weight: 175.279
Synonyms: 3-Amino-5-(propylthio)-1,2,4-thiadiazole;
Density: 1.32 g/cm3
Melting Point: 85-87°C
Boiling Point: 330 °C at 760 mmHg
Flash Point: 153.4 °C
PSA: 105.34000
LogP: 2.20360
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Specification

This chemical is called 1,2,4-Thiadiazol-3-amine,5-(propylthio)-, and its systematic name is 5-(propylsulfanyl)-1,2,4-thiadiazol-3-amine. With the molecular formula of C5H9N3S2, its molecular weight is 175.28. The CAS registry number of this chemical is 60093-13-2.

Other characteristics of the 1,2,4-Thiadiazol-3-amine,5-(propylthio)- can be summarised as followings: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 17.38; (6)ACD/BCF (pH 7.4): 17.39; (7)ACD/KOC (pH 5.5): 268.73; (8)ACD/KOC (pH 7.4): 268.75; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 82.56 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 46 cm3; (15)Molar Volume: 132.4 cm3; (16)Polarizability: 18.23×10-24cm3; (17)Surface Tension: 67.8 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 153.4 °C; (20)Enthalpy of Vaporization: 57.25 kJ/mol; (21)Boiling Point: 330 °C at 760 mmHg; (22)Vapour Pressure: 0.000171 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: S(c1nc(ns1)N)CCC
2.InChI: InChI=1/C5H9N3S2/c1-2-3-9-5-7-4(6)8-10-5/h2-3H2,1H3,(H2,6,8)
3.InChIKey: DNAVFDCATYUWPG-UHFFFAOYAK