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10486-61-0 | 3-Iodothiophene
CAS No: 10486-61-0 Catalog No: AG0085JW MDL No:MFCD00037901
Product Description
Catalog Number:
AG0085JW
Chemical Name:
3-Iodothiophene
CAS Number:
10486-61-0
Molecular Formula:
C4H3IS
Molecular Weight:
210.0361
MDL Number:
MFCD00037901
IUPAC Name:
3-iodothiophene
InChI:
InChI=1S/C4H3IS/c5-4-1-2-6-3-4/h1-3H
InChI Key:
WGKRMQIQXMJVFZ-UHFFFAOYSA-N
SMILES:
Ic1cscc1
EC Number:
234-009-8
Properties
Complexity:
46.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.9g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.032g/mol
Monoisotopic Mass:
209.9g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| An iodocyclization approach to substituted 3-iodothiophenes. | The Journal of organic chemistry 20120907 |
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
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