Home Sulfos methyl 3-(chlorosulfonyl)-4-methylthiophene-2-carboxylate

methyl 3-(chlorosulfonyl)-4-methylthiophene-2-carboxylate

CAS No.:
190375-00-9
Catalog Number:
AG01B17Q
Molecular Formula:
C7H7ClO4S2
Molecular Weight:
254.7111
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Product Description
Catalog Number:
AG01B17Q
Chemical Name:
methyl 3-(chlorosulfonyl)-4-methylthiophene-2-carboxylate
CAS Number:
190375-00-9
Molecular Formula:
C7H7ClO4S2
Molecular Weight:
254.7111
MDL Number:
MFCD20133310
IUPAC Name:
methyl 3-chlorosulfonyl-4-methylthiophene-2-carboxylate
InChI:
InChI=1S/C7H7ClO4S2/c1-4-3-13-5(7(9)12-2)6(4)14(8,10)11/h3H,1-2H3
InChI Key:
ZVULPSJAJURKJK-UHFFFAOYSA-N
SMILES:
COC(=O)c1scc(c1S(=O)(=O)Cl)C
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.947g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.699g/mol
Monoisotopic Mass:
253.947g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties