Methyl 3-aminosulfonylthiophene-2-carboxylate supplier

Name
Methyl 3-aminosulfonylthiophene-2-carboxylate
EINECS
CAS No. 59337-93-8
Article Data10
CAS DataBase
Density 1.517 g/cm³
Solubility
Melting Point 123-124 °C(Solv: water (7732-18-5))
Formula C₆H₇NO₄S₂
Boiling Point 428.3 °C at 760 mmHg
Molecular Weight 221.258
Flash Point 212.8 °C
Transport Information
Appearance
Safety 26-36/37
Risk Codes 36-43
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(Methoxycarbonyl)thiophene-3-sulfonamide;3-Sulfamoyl-2-(methoxycarbonyl)thiophene;Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate;Methyl 3-sulfamoyl-2-thiophenecarboxylate;
PSA 123.08000
LogP 1.96320

Methyl 3-aminosulfonylthiophene-2-carboxylate Specification

The 2-Thiophenecarboxylicacid, 3-(aminosulfonyl)-, methyl ester is an organic compound with the formula C₆H₇NO₄S₂. The IUPAC name of this chemical is methyl 3-sulfamoylthiophene-2-carboxylate. With the CAS registry number 59337-93-8, it is also named as Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate. The product's classification codes are Drug / Therapeutic Agent; TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties about 2-Thiophenecarboxylicacid, 3-(aminosulfonyl)-, methyl ester are: (1)ACD/LogP: -0.09; (2)ACD/LogD (pH 5.5): -0.09; (3)ACD/LogD (pH 7.4): -0.1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 21.18; (7)ACD/KOC (pH 7.4): 21.04; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 100.3 Å²; (12)Index of Refraction: 1.579; (13)Molar Refractivity: 48.44 cm³; (14)Molar Volume: 145.7 cm³; (15)Polarizability: 19.2×10^-24cm³; (16)Surface Tension: 57.7 dyne/cm; (17)Density: 1.517 g/cm³; (18)Flash Point: 212.8 °C; (19)Enthalpy of Vaporization: 68.34 kJ/mol; (20)Boiling Point: 428.3 °C at 760 mmHg; (21)Vapour Pressure: 1.53E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1sccc1S(=O)(=O)N
(2)InChI: InChI=1/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)
(3)InChIKey: PMXNPOJHBQDJKS-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)
(5)Std. InChIKey: PMXNPOJHBQDJKS-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	> 750mg/kg (750mg/kg)		Archiv der Pharmazie Vol. 329, Pg. 229, 1996.

Product Name

Methyl 3-aminosulfonylthiophene-2-carboxylate

Methyl 3-aminosulfonylthiophene-2-carboxylate Specification

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