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Name |
4-Mercapto-3-pyridinesulfonamide |
EINECS | N/A |
CAS No. | 73742-63-9 | Density | 1.63 g/cm3 |
PSA | 120.23000 | LogP | 1.79880 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H6N2O2S2 | Boiling Point | 345.6 °C at 760 mmHg |
Molecular Weight | 190.247 | Flash Point | 162.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Mercapto-3-pyridinesulfonamide;4-Sulfanylpyridine-3-sulfonamide; |
Article Data | 3 |
The systematic name of 4-Mercapto-3-pyridinesulfonamide is 4-thioxo-1,4-dihydropyridine-3-sulfonamide. With the CAS registry number 73742-63-9, it is also named as 3-Pyridinesulfonamide, 4-mercapto-. The product's category is Sulfonamide. In addition, its molecular formula is C5H6N2O2S2 and molecular weight is 190.24.
The other characteristics of 4-Mercapto-3-pyridinesulfonamide can be summarized as: (1)ACD/LogP: -1.67; (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: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 81.09 Å2; (11)Index of Refraction: 1.72; (12)Molar Refractivity: 45.94 cm3; (13)Molar Volume: 116.2 cm3; (14)Polarizability: 18.21×10-24cm3; (15)Surface Tension: 88.3 dyne/cm; (16)Density: 1.63 g/cm3; (17)Flash Point: 162.8 °C; (18)Enthalpy of Vaporization: 58.97 kJ/mol; (19)Boiling Point: 345.6 °C at 760 mmHg; (20)Vapour Pressure: 6.09E-05 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: S=C\1\C=C/N/C=C/1S(=O)(=O)N
(2)InChI: InChI=1/C5H6N2O2S2/c6-11(8,9)5-3-7-2-1-4(5)10/h1-3H,(H,7,10)(H2,6,8,9)
(3)InChIKey: ZVITWKPUEIOZGX-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C5H6N2O2S2/c6-11(8,9)5-3-7-2-1-4(5)10/h1-3H,(H,7,10)(H2,6,8,9)
(5)Std. InChIKey: ZVITWKPUEIOZGX-UHFFFAOYSA-N