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79681-26-8 | 2-Cyclopenten-1-one, 2-[(S)-(4-methylphenyl)sulfinyl]-
CAS No: 79681-26-8 Catalog No: AG005INH MDL No:
Product Description
Catalog Number:
AG005INH
Chemical Name:
2-Cyclopenten-1-one, 2-[(S)-(4-methylphenyl)sulfinyl]-
CAS Number:
79681-26-8
Molecular Formula:
C12H12O2S
Molecular Weight:
220.2875
IUPAC Name:
2-[(S)-(4-methylphenyl)sulfinyl]cyclopent-2-en-1-one
InChI:
InChI=1S/C12H12O2S/c1-9-5-7-10(8-6-9)15(14)12-4-2-3-11(12)13/h4-8H,2-3H2,1H3/t15-/m0/s1
InChI Key:
OXJHVPNLFJWVJT-HNNXBMFYSA-N
SMILES:
Cc1ccc(cc1)[S@](=O)C1=CCCC1=O
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
220.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.286g/mol
Monoisotopic Mass:
220.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Formal asymmetric 1,3-dipolar cycloaddition of azomethine ylides to (S)-2-p-tolylsulfinyl-2-cyclopentenone. | The Journal of organic chemistry 20031226 |
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