CAS No.17467-41-3,5-AMINO-3-ETHYL-1,2,4-THIADIAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17467-41-3
Name:	5-AMINO-3-ETHYL-1,2,4-THIADIAZOLE

Formula:	C₄H₇N₃S
Molecular Weight:	129.186
Synonyms:	5-Amino-3-ethyl-1,2,4-thiadiazole;3-Ethyl-1,2,4-thiadiazol-5-amine;1,2,4-Thiadiazole,5-amino-3-ethyl- (6CI,8CI);1,2,4-Thiadiazol-5-amine, 3-ethyl-;5-Amino-3-ethyl-1,2,4-thiadiazole;
Density:	1.285 g/cm³
Melting Point:	114-116°C
Boiling Point:	267.2 °C at 760 mmHg
Flash Point:	115.4 °C
Hazard Symbols:	Xn
Risk Codes:	22-36
PSA:	80.04000
LogP:	1.26390

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Specification

The 1,2,4-Thiadiazol-5-amine,3-ethyl-, with the CAS registry number 17467-41-3, has the systematic name of 3-ethyl-1,2,4-thiadiazol-5-amine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₄H₇N₃S.

The characteristics of 1,2,4-Thiadiazol-5-amine,3-ethyl- are as followings: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): 0.37; (5)ACD/BCF (pH 5.5): 1.02; (6)ACD/BCF (pH 7.4): 1.13; (7)ACD/KOC (pH 5.5): 34.4; (8)ACD/KOC (pH 7.4): 37.88; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 57.26 Å²; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 34.6 cm³; (15)Molar Volume: 100.4 cm³; (16)Polarizability: 13.71×10^-24cm³; (17)Surface Tension: 61.3 dyne/cm; (18)Density: 1.285 g/cm³; (19)Flash Point: 115.4 °C; (20)Enthalpy of Vaporization: 50.52 kJ/mol; (21)Boiling Point: 267.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00826 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1c(snc1CC)N
(2)InChI: InChI=1/C4H7N3S/c1-2-3-6-4(5)8-7-3/h2H2,1H3,(H2,5,6,7)
(3)InChIKey: VMSZFGJMDPANBP-UHFFFAOYAW