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76621-59-5 | 5(4H)-Oxazolethione, 2-methyl-4-(triphenylphosphoranylidene)-
CAS No: 76621-59-5 Catalog No: AG005APK MDL No:
Product Description
Catalog Number:
AG005APK
Chemical Name:
5(4H)-Oxazolethione, 2-methyl-4-(triphenylphosphoranylidene)-
CAS Number:
76621-59-5
Molecular Formula:
C22H18NOPS
Molecular Weight:
375.4232
IUPAC Name:
2-methyl-4-(triphenyl-λ5-phosphanylidene)-1,3-oxazole-5-thione
InChI:
InChI=1S/C22H18NOPS/c1-17-23-21(22(26)24-17)25(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3
InChI Key:
BQOGAPKQAIRAQC-UHFFFAOYSA-N
SMILES:
S=C1OC(=NC1=P(c1ccccc1)(c1ccccc1)c1ccccc1)C
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.085g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.426g/mol
Monoisotopic Mass:
375.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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