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13963-59-2 | Iron, tris(N,N-diethylcarbamodithioato-κS,κS')-, (OC-6-11)-
CAS No: 13963-59-2 Catalog No: AG001BF8 MDL No:MFCD00070507
Product Description
Catalog Number:
AG001BF8
Chemical Name:
Iron, tris(N,N-diethylcarbamodithioato-κS,κS')-, (OC-6-11)-
CAS Number:
13963-59-2
MDL Number:
MFCD00070507
IUPAC Name:
N,N-diethylcarbamodithioate;iron(3+)
InChI:
InChI=1S/3C5H11NS2.Fe/c3*1-3-6(4-2)5(7)8;/h3*3-4H2,1-2H3,(H,7,8);/q;;;+3/p-3
InChI Key:
WGPCJVLKOFIRMS-UHFFFAOYSA-K
EC Number:
237-743-7
Properties
Complexity:
73
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.011g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
500.631g/mol
Monoisotopic Mass:
500.011g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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