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CAS No.: | 117671-01-9 |
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Name: | 3-ETHYLSULFONYL-2-PYRIDINESULFONAMIDE |
Molecular Structure: | |
Formula: | C7H10N2O4S2 |
Molecular Weight: | 250.2953 |
Synonyms: | 2-(Aminosulfonyl)-3-(ethylsulfonyl)pyridine;3-(Ethylsulfonyl)-2-pyridinesulfonamide; |
EINECS: | 1592732-453-0 |
Density: | 1.473 g/cm3 |
Boiling Point: | 544.3 °C at 760 mmHg |
Flash Point: | 283 °C |
PSA: | 123.95000 |
LogP: | 2.38450 |
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The 2-Pyridinesulfonamide, 3-(ethylsulfonyl)-, with the CAS registry number of 117671-01-9, is also known as Ethanesulfonylpyridine-2-sulfonamide. This chemical's molecular formula is C7H10N2O4S2 and molecular weight is 250.2953. What's more, its IUPAC name is 3-Ethylsulfonylpyridine-2-sulfonamide.
Physical properties about 2-Pyridinesulfonamide, 3-(ethylsulfonyl)- are: (1)ACD/LogP: -0.85; (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): 22.54; (6)ACD/KOC (pH 7.4): 20.68; (7)#H bond acceptors: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 101.17 Å2; (11)Index of Refraction: 1.561; (12)Molar Refractivity: 55.06 cm3; (13)Molar Volume: 169.8 cm3; (14)Surface Tension: 56.8 dyne/cm; (15)Density: 1.473 g/cm3; (16)Flash Point: 283 °C; (17)Enthalpy of Vaporization: 82.29 kJ/mol; (18)Boiling Point: 544.3 °C at 760 mmHg; (19)Vapour Pressure: 6.57E-12 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ncccc1S(=O)(=O)CC)N
(2) InChI: InChI=1/C7H10N2O4S2/c1-2-14(10,11)6-4-3-5-9-7(6)15(8,12)13/h3-5H,2H2,1H3,(H2,8,12,13)
(3) InChIKey: ZVAJJLYQUHJURI-UHFFFAOYAN
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LDLo | oral | 7500mg/kg (7500mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR | National Technical Information Service. Vol. OTS0546262, |