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CAS No.: | 6339-87-3 |
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Name: | Thiophene-2-sulfonamide |
Article Data: | 42 |
Molecular Structure: | |
Formula: | C4H5NO2S2 |
Molecular Weight: | 163.221 |
Synonyms: | Thiophene-2-sulfonamide;NSC 42521;Sulfamido-2 thiophene; |
Density: | 1.513 g/cm3 |
Melting Point: | 146-148 °C |
Boiling Point: | 338.1 °C at 760 mmHg |
Flash Point: | 158.3 °C |
Appearance: | Light yellow solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26 |
PSA: | 96.78000 |
LogP: | 2.17660 |
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The IUPAC name of 2-Thiophenesulfonamide is thiophene-2-sulfonamide. With the CAS registry number 6339-87-3, it is also named as Sulfamido-2 thiophene. The product's categories are Sulfonamide; Thiophene Intermediates. In addition, its molecular formula is C4H5NO2S2 and molecular weight is 163.22.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.94; (8)ACD/KOC (pH 7.4): 23.87; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 74 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 37.33 cm3; (15)Molar Volume: 107.8 cm3; (16)Polarizability: 14.79×10-24cm3; (17)Surface Tension: 58.1 dyne/cm; (18)Density: 1.513 g/cm3; (19)Flash Point: 158.3 °C; (20)Melting Point: 146-148 °C; (21)Enthalpy of Vaporization: 58.15 kJ/mol; (22)Boiling Point: 338.1 °C at 760 mmHg; (23)Vapour Pressure: 0.0001 mmHg at 25 °C.
Preparation of 2-Thiophenesulfonamide: this chemical can be prepared by Thiophene-2-sulfonyl chloride.
This reaction needs NH3, NaOAc and Ethanol. The reaction time is 24 hours. The yield is 67 %.
Uses of 2-Thiophenesulfonamide: it can react with Acetyl chloride to get N-Acetylthiophene-2-sulfonamide.
This reaction needs Acetic acid by heating for 30 min. The yield is 60 %.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=S(=O)(N)c1sccc1
(2)InChI: InChI=1/C4H5NO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H2,5,6,7)
(3)InChIKey: KTFDYVNEGTXQCV-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C4H5NO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H2,5,6,7)
(5)Std. InChIKey: KTFDYVNEGTXQCV-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 300mg/kg (300mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Annales Pharmaceutiques Francaises. Vol. 19, Pg. 449, 1961. |