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66709-83-9

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Basic Information
CAS No.: 66709-83-9
Name: 1,3,4-Thiadiazole-2-carboxamide,4,5-dihydro-5-thioxo-(9CI)
Molecular Structure:
Molecular Structure of 66709-83-9 (1,3,4-Thiadiazole-2-carboxamide,4,5-dihydro-5-thioxo-(9CI))
Formula: C3H3N3OS2
Molecular Weight: 161.209
Synonyms: 2(3H)-Thioxo-1,3,4-thiadiazole-5-carboxamide;5-Mercapto-2-carbamoyl-1,3,4-thiadiazole;
Density: 1.668 g/cm3
Boiling Point: 352.031 °C at 760 mmHg
Flash Point: 166.702 °C
PSA: 132.10000
LogP: 0.99990
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Specification

The 1, 3, 4-Thiadiazole-2-carboxamide, 4, 5-dihydro-5-thioxo-, with the CAS registry number 66709-83-9, is also known as 5-Thioxo-4, 5-dihydro-1, 3, 4-thiadiazole-2-carboxamide. It belongs to the product category of Amide. This chemical's molecular formula is C3H3N3OS2 and molecular weight is 161.209. What's more, its systematic name is 5-Sulfanyl-1, 3, 4-thiadiazole-2-carboxamide.

Physical properties about 1, 3, 4-Thiadiazole-2-carboxamide, 4, 5-dihydro-5-thioxo- are: (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 135.91 Å2; (11)Index of Refraction: 1.714; (12)Molar Refractivity: 37.926 cm3; (13)Molar Volume: 96.672 cm3; (14)Polarizability: 15.035×10-24 cm3; (15)Surface Tension: 94.813 dyne/cm; (16)Density: 1.668 g/cm3; (17)Flash Point: 166.702 °C; (18)Enthalpy of Vaporization: 59.68 kJ/mol; (19)Boiling Point: 352.031 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: NC(=O)c1nnc(S)s1
(2) InChI: InChI=1/C3H3N3OS2/c4-1(7)2-5-6-3(8)9-2/h(H2,4,7)(H,6,8)
(3) InChIKey: VEYZDINYYFEYCZ-UHFFFAOYAZ