CAS No.70374-37-7,Methyl 5-chloro-3-chlorosulfonyl-2-thiophene carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	70374-37-7
Name:	Methyl 5-chloro-3-chlorosulfonyl-2-thiophene carboxylate

Formula:	C₇H₈ClNO₄S₂
Molecular Weight:	269.73
Synonyms:	5-Chloro-3-(N-methylsulfamoyl)-thiophene-2-carboxylic acid methyl ester;Methyl 5-chloro-3-(methylsulfamoyl)-2-thiophenecarboxylate;
EINECS:	1308068-626-2
Density:	1.503 g/cm³
Boiling Point:	424.6 °C at 760 mmHg
Flash Point:	210.6 °C
PSA:	109.09000
LogP:	2.56790

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Specification

The Methyl 5-chloro-3-chlorosulfonyl-2-thiophene carboxylate is an organic compound with the formula C₇H₈ClNO₄S₂. The IUPAC name of this cehmical is methyl 5-chloro-3-(methylsulfamoyl)thiophene-2-carboxylate. With the CAS registry number 70374-37-7, it is also named as 5-Chloro-3-(N-methylsulfamoyl)-thiophene-2-carboxylic acid methyl ester. The product's category is APIs Intermediate. In addition, the molecular weight is 269.73.

The other characteristics of Methyl 5-chloro-3-chlorosulfonyl-2-thiophene carboxylate can be summarized as: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 10.13; (6)ACD/BCF (pH 7.4): 10.12; (7)ACD/KOC (pH 5.5): 182.57; (8)ACD/KOC (pH 7.4): 182.34; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 109.09 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 57.92 cm³; (15)Molar Volume: 179.3 cm³; (16)Polarizability: 22.96×10^-24 cm³; (17)Surface Tension: 50.2 dyne/cm; (18)Density: 1.503 g/cm³; (19)Flash Point: 210.6 °C; (20)Enthalpy of Vaporization: 67.91 kJ/mol; (21)Boiling Point: 424.6 °C at 760 mmHg; (22)Vapour Pressure: 2.04E-07 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=S(=O)(NC)c1cc(Cl)sc1C(=O)OC
2. InChI:InChI=1/C7H8ClNO4S2/c1-9-15(11,12)4-3-5(8)14-6(4)7(10)13-2/h3,9H,1-2H3
3. InChIKey:XPJZPHCNBFFGDB-UHFFFAOYAR
4. Std. InChI:InChI=1S/C7H8ClNO4S2/c1-9-15(11,12)4-3-5(8)14-6(4)7(10)13-2/h3,9H,1-2H3
5. Std. InChIKey:XPJZPHCNBFFGDB-UHFFFAOYSA-N