-
Name
3-AMINO-5-ALLYLAMINO-1,2,4-THIADIAZOLE
- EINECS
- CAS No. 60093-16-5
- Density 1.355 g/cm3
- Solubility
- Melting Point 160-162°C
- Formula C5H8N4S
- Boiling Point 301.7 °C at 760 mmHg
- Molecular Weight 156.21
- Flash Point 136.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 1,2,4-Thiadiazole-3,5-diamine,N5-2-propenyl- (9CI);5-(Allylamino)-3-amino-1,2,4-thiadiazole;
- PSA 92.07000
- LogP 1.37240
1,2,4-Thiadiazole-3,5-diamine, N5-2-propen-1-yl- Specification
This chemical is called 1,2,4-Thiadiazole-3,5-diamine, N5-2-propen-1-yl-, and its systematic name is N5-(prop-2-en-1-yl)-1,2,4-thiadiazole-3,5-diamine. With the molecular formula of C5H8N4S, its molecular weight is 156.21. The CAS registry number of this chemical is 60093-16-5.
Other characteristics of the 1,2,4-Thiadiazole-3,5-diamine, N5-2-propen-1-yl- can be summarised as followings: (1)ACD/LogP: 0.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.48; (4)ACD/LogD (pH 7.4): 0.49; (5)ACD/BCF (pH 5.5): 1.36; (6)ACD/BCF (pH 7.4): 1.38; (7)ACD/KOC (pH 5.5): 43.14; (8)ACD/KOC (pH 7.4): 43.92; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 60.5 Å2; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 43.65 cm3; (15)Molar Volume: 115.2 cm3; (16)Polarizability: 17.3×10-24cm3; (17)Surface Tension: 68.9 dyne/cm; (18)Density: 1.355 g/cm3; (19)Flash Point: 136.3 °C; (20)Enthalpy of Vaporization: 54.19 kJ/mol; (21)Boiling Point: 301.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00104 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n1c(snc1N)NC/C=C
2.InChI: InChI=1/C5H8N4S/c1-2-3-7-5-8-4(6)9-10-5/h2H,1,3H2,(H3,6,7,8,9)
3.InChIKey: MYISXCAAYLVJSC-UHFFFAOYAP
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