1,2,4-Thiadiazol-3-amine,5-(2-propen-1-ylthio)- supplier

Name
3-AMINO-5-ALLYLTHIO-1,2,4-THIADIAZOLE
EINECS
CAS No. 60093-12-1
Density 1.35 g/cm³
Solubility
Melting Point 76-78°C
Formula C₅H₇N₃S₂
Boiling Point 316.1 °C at 760 mmHg
Molecular Weight 173.26
Flash Point 145 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms TIMTEC-BB SBB005508;3-AMINO-5-ALLYLTHIO-1,2,4-THIADIAZOLE
PSA 105.34000
LogP 1.97960

1,2,4-Thiadiazol-3-amine,5-(2-propen-1-ylthio)- Specification

This chemical is called 1,2,4-Thiadiazol-3-amine,5-(2-propen-1-ylthio)-, and its systematic name is 5-(prop-2-en-1-ylsulfanyl)-1,2,4-thiadiazol-3-amine. With the molecular formula of C₅H₇N₃S₂, its molecular weight is 173.26. The CAS registry number of this chemical is 60093-12-1.

Other characteristics of the 1,2,4-Thiadiazol-3-amine,5-(2-propen-1-ylthio)- can be summarised as followings: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.7; (4)ACD/LogD (pH 7.4): 1.7; (5)ACD/BCF (pH 5.5): 11.52; (6)ACD/BCF (pH 7.4): 11.52; (7)ACD/KOC (pH 5.5): 200.21; (8)ACD/KOC (pH 7.4): 200.22; (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: 1.635; (14)Molar Refractivity: 45.77 cm³; (15)Molar Volume: 127.7 cm³; (16)Polarizability: 18.14×10^-24cm³; (17)Surface Tension: 69.8 dyne/cm; (18)Density: 1.35 g/cm³; (19)Flash Point: 145 °C; (20)Enthalpy of Vaporization: 55.74 kJ/mol; (21)Boiling Point: 316.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000419 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: S(c1nc(ns1)N)C/C=C
2.InChI: InChI=1/C5H7N3S2/c1-2-3-9-5-7-4(6)8-10-5/h2H,1,3H2,(H2,6,8)
3.InChIKey: IRXVGBUBURSPAF-UHFFFAOYAX

Product Name

3-AMINO-5-ALLYLTHIO-1,2,4-THIADIAZOLE

1,2,4-Thiadiazol-3-amine,5-(2-propen-1-ylthio)- Specification

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