4-Mercapto-3-pyridinesulfonamide supplier

Name
4-Mercapto-3-pyridinesulfonamide
EINECS
CAS No. 73742-63-9
Article Data3
CAS DataBase
Density 1.63 g/cm³
Solubility
Melting Point
Formula C₅H₆N₂O₂S₂
Boiling Point 345.6 °C at 760 mmHg
Molecular Weight 190.247
Flash Point 162.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Mercapto-3-pyridinesulfonamide;4-Sulfanylpyridine-3-sulfonamide;
PSA 120.23000
LogP 1.79880

4-Mercapto-3-pyridinesulfonamide Specification

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

Product Name

4-Mercapto-3-pyridinesulfonamide

4-Mercapto-3-pyridinesulfonamide Specification

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