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412965-13-0 | 2-(ETHYLSULFONYL)-5-IODOTHIOPHENE
CAS No: 412965-13-0 Catalog No: AG0072CP MDL No:MFCD00228334
Product Description
Catalog Number:
AG0072CP
Chemical Name:
2-(ETHYLSULFONYL)-5-IODOTHIOPHENE
CAS Number:
412965-13-0
Molecular Formula:
C6H7IO2S2
Molecular Weight:
302.1531
MDL Number:
MFCD00228334
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
SMILES:
CCS(=O)(=O)c1ccc(s1)I
Properties
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
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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