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CAS No.: | 55774-34-0 |
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Name: | 5-(ETHYLAMINO)-1,3,4-THIADIAZOLE-2-THIOL |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C4H7N3S2 |
Molecular Weight: | 161.25 |
Synonyms: | 1,3,4-Thiadiazole-2-thiol,5-ethylamino- (6CI);2-Ethylamino-5-mercapto-1,3,4-thiadiazole;5-(Ethylamino)-1,3,4-thiadiazole-2(3H)-thione;5-(Ethylamino)-1,3,4-thiadiazole-2-thiol;5-Ethylamino-3H-[1,3,4]thiadiazole-2-thione; |
Density: | 1.54 g/cm3 |
Boiling Point: | 224.9 °C at 760 mmHg |
Flash Point: | 89.8 °C |
PSA: | 104.85000 |
LogP: | 1.33160 |
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The 1,3,4-Thiadiazole-2(3H)-thione,5-(ethylamino)-, with the CAS registry number 55774-34-0, is also known as 5-(Ethylamino)-1,3,4-thiadiazole-2-thiol. This chemical's molecular formula is C4H7N3S2 and molecular weight is 161.25. What's more, its systematic name is 5-(Ethylamino)-1,3,4-thiadiazole-2(3H)-thione.
Physical properties of 1,3,4-Thiadiazole-2(3H)-thione,5-(ethylamino)- are: (1)ACD/LogP: 0.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.26; (4)ACD/LogD (pH 7.4): 0.32; (5)ACD/BCF (pH 5.5): 4.39; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 79.62; (8)ACD/KOC (pH 7.4): 9.18; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 76.23 Å2; (13)Index of Refraction: 1.748; (14)Molar Refractivity: 42.54 cm3; (15)Molar Volume: 104.6 cm3; (16)Polarizability: 16.86×10-24cm3; (17)Surface Tension: 54.3 dyne/cm; (18)Density: 1.54 g/cm3; (19)Flash Point: 89.8 °C; (20)Enthalpy of Vaporization: 46.15 kJ/mol; (21)Boiling Point: 224.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0887 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C1S\C(=N/N1)NCC
(2)InChI: InChI=1S/C4H7N3S2/c1-2-5-3-6-7-4(8)9-3/h2H2,1H3,(H,5,6)(H,7,8)
(3)InChIKey: OWTDUWLWAOCZOO-UHFFFAOYSA-N