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33775-94-9 | (2-Iodophenyl)(methyl)sulfane
CAS No: 33775-94-9 Catalog No: AG003HH0 MDL No:MFCD00051611
Product Description
Catalog Number:
AG003HH0
Chemical Name:
(2-Iodophenyl)(methyl)sulfane
CAS Number:
33775-94-9
Molecular Formula:
C7H7IS
Molecular Weight:
250.1000
MDL Number:
MFCD00051611
IUPAC Name:
1-iodo-2-methylsulfanylbenzene
InChI:
InChI=1S/C7H7IS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
InChI Key:
YENHZHSFWAPGIR-UHFFFAOYSA-N
SMILES:
CSc1ccccc1I
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.931g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.097g/mol
Monoisotopic Mass:
249.931g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Synthesis of 2,3-disubstituted benzo[b]thiophenes via palladium-catalyzed coupling and electrophilic cyclization of terminal acetylenes. | The Journal of organic chemistry 20020322 |
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