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5296-64-0 | Allyl(phenyl);sulfane
CAS No: 5296-64-0 Catalog No: AG003NPW MDL No:MFCD00014957
Product Description
Catalog Number:
AG003NPW
Chemical Name:
Allyl(phenyl);sulfane
CAS Number:
5296-64-0
Molecular Formula:
C9H10S
Molecular Weight:
150.2407
MDL Number:
MFCD00014957
IUPAC Name:
prop-2-enylsulfanylbenzene
InChI:
InChI=1S/C9H10S/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2
InChI Key:
QGNRLAFFKKBSIM-UHFFFAOYSA-N
SMILES:
C=CCSc1ccccc1
EC Number:
226-142-5
Properties
Complexity:
92.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.05g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.239g/mol
Monoisotopic Mass:
150.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Readily prepared 3-chloro-1-(phenylthio)propene, a versatile three-carbon annulating agent. | Organic letters 20091015 |
| 2-Phenylthio-3-bromopropene, a valuable synthon, easily prepared by a simple rearrangement. | Organic letters 20060511 |
| Screening of organosulfur compounds as inhibitors of human CYP2A6. | Drug metabolism and disposition: the biological fate of chemicals 20010701 |
| The magnesium-ene cyclization stereochemically directed by an allylic oxyanionic group and its application to a highly stereoselective synthesis of (+/-)-matatabiether. Allylmagnesium compounds by reductive magnesiation of allyl phenyl sulfides. | Journal of the American Chemical Society 20010110 |
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