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117-97-5 | Benzenethiol, 2,3,4,5,6-pentachloro-, zinc salt (2:1)
CAS No: 117-97-5 Catalog No: AG000DJ6 MDL No:MFCD01741357
Product Description
Catalog Number:
AG000DJ6
Chemical Name:
Benzenethiol, 2,3,4,5,6-pentachloro-, zinc salt (2:1)
CAS Number:
117-97-5
Molecular Formula:
C12H8Cl2S2Zn
Molecular Weight:
352.6079
MDL Number:
MFCD01741357
IUPAC Name:
zinc;2,3,4,5,6-pentachlorobenzenethiolate
InChI:
InChI=1S/2C6HCl5S.Zn/c2*7-1-2(8)4(10)6(12)5(11)3(1)9;/h2*12H;/q;;+2/p-2
InChI Key:
ONSIBMFFLJKTPT-UHFFFAOYSA-L
SMILES:
[S-]c1ccccc1Cl.[S-]c1ccccc1Cl.[Zn+2]
EC Number:
204-224-1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
625.556g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
628.132g/mol
Monoisotopic Mass:
621.562g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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