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1216-38-2 | 4-Phosphorinanone, 2,2,6,6-tetramethyl-1-phenyl-, 1-sulfide
CAS No: 1216-38-2 Catalog No: AG0015E5 MDL No:
Product Description
Catalog Number:
AG0015E5
Chemical Name:
4-Phosphorinanone, 2,2,6,6-tetramethyl-1-phenyl-, 1-sulfide
CAS Number:
1216-38-2
Molecular Formula:
C15H21OPS
Molecular Weight:
280.3654
IUPAC Name:
2,2,6,6-tetramethyl-1-phenyl-1-sulfanylidene-1λ5-phosphinan-4-one
InChI:
InChI=1S/C15H21OPS/c1-14(2)10-12(16)11-15(3,4)17(14,18)13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3
InChI Key:
OUYIKBVKMVVAHA-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)P(=S)(C(C1)(C)C)c1ccccc1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.366g/mol
Monoisotopic Mass:
280.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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