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1777-61-3 | Ethanone, 1-(2-thienyl)-2-(triphenylphosphoranylidene)-
CAS No: 1777-61-3 Catalog No: AG0025H3 MDL No:
Product Description
Catalog Number:
AG0025H3
Chemical Name:
Ethanone, 1-(2-thienyl)-2-(triphenylphosphoranylidene)-
CAS Number:
1777-61-3
Molecular Formula:
C24H19OPS
Molecular Weight:
386.4458
IUPAC Name:
1-thiophen-2-yl-2-(triphenyl-λ5-phosphanylidene)ethanone
InChI:
InChI=1S/C24H19OPS/c25-23(24-17-10-18-27-24)19-26(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-19H
InChI Key:
WJSJUGXGEXMVSF-UHFFFAOYSA-N
SMILES:
O=C(c1cccs1)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.089g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.449g/mol
Monoisotopic Mass:
386.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Literature
| Title | Journal |
|---|---|
| 2-Thienylcarbonylmethylene-triphenylphosphorane ylide. | Acta crystallographica. Section E, Structure reports online 20080401 |
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