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70374-38-8

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Basic Information
CAS No.: 70374-38-8
Name: 5-Chloro-3-[N-(methoxy-carbonyl-methyl)sulfamoyl]-2-thiophene carboxylic acid methyl ester
Molecular Structure:
Molecular Structure of 70374-38-8 (5-Chloro-3-[N-(methoxy-carbonyl-methyl)sulfamoyl]-2-thiophene carboxylic acid methyl ester)
Formula: C10H12ClNO6S2
Molecular Weight: 341.79
Synonyms: Methyl 5-chloro-3-[(2-methoxy-2-oxoethyl)sulfamoyl]-2-thiophenecarboxylate;
EINECS: 1308068-626-2
Density: 1.518 g/cm3
Boiling Point: 480.365 °C at 760 mmHg
Flash Point: 244.316 °C
PSA: 126.60000
LogP: 2.06240
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Specification

The 5-Chloro-3-[N-(methoxy-carbonyl-methyl)sulfamoyl]-2-thiophene carboxylic acid methyl ester, with the CAS registry number 70374-38-8, is also known as Methyl 5-chloro-3-[(2-methoxy-2-oxoethyl)sulfamoyl]-2-thiophenecarboxylate. It belongs to the product category of APIs Intermediate. This chemical's molecular formula is C10H12ClNO6S2 and molecular weight is 341.79. What's more, its IUPAC name is called Methyl
5-chloro-3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate.

Physical properties about 5-Chloro-3-[N-(methoxy-carbonyl-methyl)sulfamoyl]-2-thiophene carboxylic acid methyl ester are: (1)ACD/LogP: 1.726; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 12.00; (6)ACD/BCF (pH 7.4): 8.13; (7)ACD/KOC (pH 5.5): 205.72; (8)ACD/KOC (pH 7.4): 139.39; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 135.39 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 69.05 cm3; (15)Molar Volume: 215.846 cm3; (16)Polarizability: 27.373 10-24cm3; (17)Surface Tension: 53.264 dyne/cm; (18)Density: 1.518 g/cm3; (19)Flash Point: 244.316 °C; (20)Enthalpy of Vaporization: 74.485 kJ/mol; (21)Boiling Point: 480.365 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1c(sc(Cl)c1)C(=O)OC)NCC(=O)OC
(2) InChI: InChI=1S/C9H10ClNO6S2/c1-16-7(12)4-11-19(14,15)5-3-6(10)18-8(5)9(13)17-2/h3,11H,4H2,1-2H3
(3) InChIKey: SHOKLCGTXCHVRZ-UHFFFAOYSA-N