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12367-51-0 | Titanium, tetrakis(N,N-diethylcarbamodithioato-κS,κS')-
CAS No: 12367-51-0 Catalog No: AG000KXW MDL No:
Product Description
Catalog Number:
AG000KXW
Chemical Name:
Titanium, tetrakis(N,N-diethylcarbamodithioato-κS,κS')-
CAS Number:
12367-51-0
Molecular Formula:
C20H40N4S8Ti
Molecular Weight:
640.9454
IUPAC Name:
N,N-diethylcarbamodithioate;titanium(4+)
InChI:
InChI=1S/4C5H11NS2.Ti/c4*1-3-6(4-2)5(7)8;/h4*3-4H2,1-2H3,(H,7,8);/q;;;;+4/p-4
InChI Key:
LFQXBAMBISRCSO-UHFFFAOYSA-J
SMILES:
CCN(C(=S)[S-])CC.CCN(C(=S)[S-])CC.CCN(C(=S)[S-])CC.CCN(C(=S)[S-])CC.[Ti+4]
Properties
Complexity:
73
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
640.05g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
640.915g/mol
Monoisotopic Mass:
640.05g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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