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3019-20-3 | ISOPROPYLTHIOBENZENE
CAS No: 3019-20-3 Catalog No: AG003R5E MDL No:MFCD00039842
Product Description
Catalog Number:
AG003R5E
Chemical Name:
ISOPROPYLTHIOBENZENE
CAS Number:
3019-20-3
Molecular Formula:
C9H12S
Molecular Weight:
152.2566
MDL Number:
MFCD00039842
IUPAC Name:
propan-2-ylsulfanylbenzene
InChI:
InChI=1S/C9H12S/c1-8(2)10-9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key:
SNOAHAUUBQMVGW-UHFFFAOYSA-N
SMILES:
CC(Sc1ccccc1)C
EC Number:
221-162-0
Properties
Complexity:
82.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.066g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.255g/mol
Monoisotopic Mass:
152.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Iron-catalyzed oxidation of thioethers by iodosylarenes: stereoselectivity and reaction mechanism. | Chemistry (Weinheim an der Bergstrasse, Germany) 20070101 |
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