| CAS Number | 412965-13-0 |
| Catalog Number | AG0072CP(AGN-PC-0WB45S) |
| Chemical Name | 2-(Ethylsulfonyl)-5-iodothiophene |
| IUPAC Name | 2-ethylsulfonyl-5-iodothiophene |
| InChI | InChI=1S/C6H7IO2S2/c1-2-11(8,9)6-4-3-5(7)10-6/h3-4H,2H2,1H3 |
| InChI Key | KTTBOVPLFMROSL-UHFFFAOYSA-N |
| MDL Number | MFCD00228334 |
| Molecular Formula | C6H7IO2S2 |
| Molecular Weight | 302.1531 |
| SMILES | C1(=CC=C(I)S1)S(CC)(=O)=O |
| Synonyms | 2-(ETHYLSULFONYL)-5-IODOTHIOPHENE,
412965-13-0,
AC1LG0MX,
Cambridge id 5153905,
SCHEMBL3149551,
2-ethylsulfonyl-5-iodothiophene,
CTK4I4657,
DTXSID50354924,
HMS1579M12,
ZINC284646,
ZX-CM015227,
FCH931379,
MFCD00228334,
AKOS006222502,
ACM412965130,
AJ-18862,
2-(ETHANESULFONYL)-5-IODOTHIOPHENE,
W-6723,
AB00074596-01,
CID786878,
ZINC00284646,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.893g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.144g/mol |
| Monoisotopic Mass | 301.893g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number