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123872-77-5 | Phosphonic acid, (1-methylethyl)-, bis[4-(methylthio)phenyl] ester (9CI)
CAS No: 123872-77-5 Catalog No: AG000L7C MDL No:
Product Description
Catalog Number:
AG000L7C
Chemical Name:
Phosphonic acid, (1-methylethyl)-, bis[4-(methylthio)phenyl] ester (9CI)
CAS Number:
123872-77-5
Molecular Formula:
C17H21O3PS2
Molecular Weight:
368.4506
IUPAC Name:
1-methylsulfanyl-4-[(4-methylsulfanylphenoxy)-propan-2-ylphosphoryl]oxybenzene
InChI:
InChI=1S/C17H21O3PS2/c1-13(2)21(18,19-14-5-9-16(22-3)10-6-14)20-15-7-11-17(23-4)12-8-15/h5-13H,1-4H3
InChI Key:
SJYCEBKDEVWJOH-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)OP(=O)(C(C)C)Oc1ccc(cc1)SC
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.067g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.446g/mol
Monoisotopic Mass:
368.067g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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