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86932-91-4 | Disodium ((dithiocarboxylato)thio)acetate
CAS No: 86932-91-4 Catalog No: AG004I4Z MDL No:
Product Description
Catalog Number:
AG004I4Z
Chemical Name:
Disodium ((dithiocarboxylato)thio)acetate
CAS Number:
86932-91-4
Molecular Formula:
C3H2Na2O2S3
Molecular Weight:
212.2213
IUPAC Name:
disodium;2-sulfidocarbothioylsulfanylacetate
InChI:
InChI=1S/C3H4O2S3.2Na/c4-2(5)1-8-3(6)7;;/h1H2,(H,4,5)(H,6,7);;/q;2*+1/p-2
InChI Key:
XMRNOCIHYZJBCZ-UHFFFAOYSA-L
SMILES:
[O-]C(=O)CSC(=S)[S-].[Na+].[Na+]
EC Number:
289-289-4
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.901g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.207g/mol
Monoisotopic Mass:
211.901g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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