chempirical

Methyl 3-(chlorosulfonyl)-2-thiophenecarboxylate

C6H5ClO4S2CAS 59337-92-7240.67 g/mol

Open in Covalent MOL file
OOSSOOCl
Ester

Properties

Molecular formula
C6H5ClO4S2
Molar mass
240.67 g/mol
Exact mass
239.9318 Da
Melting point
63–64 °C
logP
1.46Crippen estimate
Polar surface area
60.4 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Identifiers

CAS number
59337-92-7
SMILES
COC(=O)c1sccc1S(=O)(=O)Cl
InChIKey
PJVJBDAUWILEOG-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl ester
  • 3-(Chlorosulfonyl)-2-(methoxycarbonyl)thiophene
  • 2-(Carbomethoxy)thiophene-3-sulfonyl chloride
  • 2-Methoxycarbonyl-3-thiophenesulfonyl chloride
  • 3-Chlorosulfonylthiophene-2-carboxylic acid methyl ester

Work with Methyl 3-(chlorosulfonyl)-2-thiophenecarboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate59337-93-865 % similar Methyl o-(chlorosulfonyl)benzoate26638-43-756 % similar Methyl 3-[[(2-methoxy-2-oxoethyl)amino]sulfonyl]-2-thiophenecarboxylate106820-63-755 % similar Methyl 3-aminothiophene-2-carboxylate22288-78-454 % similar 2-Thiophenecarboxylicacid,3-fluoro-,methylester(9ci)100421-52-153 % similar Methyl benzoate-3-sulfonyl chloride63555-50-047 % similar Methyl 2-amino-3-thiophenecarboxylate4651-81-442 % similar Methyl 2-thiophenecarboxylate5380-42-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook