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1,3,4-Thiadiazole-2(3H)-thione,5-(ethylamino)-

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Name

1,3,4-Thiadiazole-2(3H)-thione,5-(ethylamino)-

EINECS N/A
CAS No. 55774-34-0 Density 1.54 g/cm3
PSA 104.85000 LogP 1.33160
Solubility N/A Melting Point N/A
Formula C4H7N3S2 Boiling Point 224.9 °C at 760 mmHg
Molecular Weight 161.25 Flash Point 89.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 55774-34-0 (5-(ETHYLAMINO)-1,3,4-THIADIAZOLE-2-THIOL) Hazard Symbols N/A
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;

Article Data 10

1,3,4-Thiadiazole-2(3H)-thione,5-(ethylamino)- Specification

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

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