Home Sulfos ethyl 5-(chlorosulfonyl)-1-benzothiophene-2-carboxylate

ethyl 5-(chlorosulfonyl)-1-benzothiophene-2-carboxylate

CAS No.:
1547967-32-7
Catalog Number:
AG01BGEC
Molecular Formula:
C11H9ClO4S2
Molecular Weight:
304.7698
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Product Description
Catalog Number:
AG01BGEC
Chemical Name:
ethyl 5-(chlorosulfonyl)-1-benzothiophene-2-carboxylate
CAS Number:
1547967-32-7
Molecular Formula:
C11H9ClO4S2
Molecular Weight:
304.7698
MDL Number:
MFCD24231455
IUPAC Name:
ethyl 5-chlorosulfonyl-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C11H9ClO4S2/c1-2-16-11(13)10-6-7-5-8(18(12,14)15)3-4-9(7)17-10/h3-6H,2H2,1H3
InChI Key:
BVDNJDOKZQXNEB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c(s1)ccc(c2)S(=O)(=O)Cl
Properties
Complexity:
417  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.963g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.759g/mol
Monoisotopic Mass:
303.963g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties