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20676-76-0 | Phosphine sulfide, bis(3-methylphenyl)phenyl-
CAS No: 20676-76-0 Catalog No: AG002INU MDL No:
Product Description
Catalog Number:
AG002INU
Chemical Name:
Phosphine sulfide, bis(3-methylphenyl)phenyl-
CAS Number:
20676-76-0
Molecular Formula:
C20H19PS
Molecular Weight:
322.4036
IUPAC Name:
bis(3-methylphenyl)-phenyl-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C20H19PS/c1-16-8-6-12-19(14-16)21(22,18-10-4-3-5-11-18)20-13-7-9-17(2)15-20/h3-15H,1-2H3
InChI Key:
DTACHTMONKNJKN-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)P(=S)(c1cccc(c1)C)c1ccccc1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.406g/mol
Monoisotopic Mass:
322.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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