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116086-22-7 | Iron, (carbonothioyl)dicarbonylbis(methyldiphenylphosphine)- (9CI)
CAS No: 116086-22-7 Catalog No: AG000BKV MDL No:
Product Description
Catalog Number:
AG000BKV
Chemical Name:
Iron, (carbonothioyl)dicarbonylbis(methyldiphenylphosphine)- (9CI)
CAS Number:
116086-22-7
Molecular Formula:
C29H26FeO2P2S
Molecular Weight:
556.3731
IUPAC Name:
iron;methyl-[3-[methyl(diphenyl)phosphaniumyl]-3-oxo-2-sulfanylidenepropanoyl]-diphenylphosphanium
InChI:
InChI=1S/C29H26O2P2S.Fe/c1-32(23-15-7-3-8-16-23,24-17-9-4-10-18-24)28(30)27(34)29(31)33(2,25-19-11-5-12-20-25)26-21-13-6-14-22-26;/h3-22H,1-2H3;/q+2;
InChI Key:
LQKUXHYWRDSRDN-UHFFFAOYSA-N
SMILES:
S=C(C(=O)P(c1ccccc1)(c1ccccc1)C)C(=O)P(c1ccccc1)(c1ccccc1)C.[Fe]
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
556.048g/mol
Formal Charge:
2
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
556.378g/mol
Monoisotopic Mass:
556.048g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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