1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

magnesium;2-[carboxylatomethylsulfanyl(carboxymethylsulfanyl)methyl]sulfanylacetate

2.1.2 InChI

InChI=1S/C7H10O6S3.Mg/c8-4(9)1-14-7(15-2-5(10)11)16-3-6(12)13;/h7H,1-3H2,(H,8,9)(H,10,11)(H,12,13);/q;+2/p-2

2.1.3 InChI Key

SRXYJTHLUCKDDO-UHFFFAOYSA-L

2.1.4 Canonical SMILES

C(C(=O)O)SC(SCC(=O)[O-])SCC(=O)[O-].[Mg+2]

2.2 Other Identifiers

2.2.1 UNII

PBC821306W

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Eparsolfo-smit

2. Ritiometan Magnesium [who-dd]

3. Magnesium Methylidynetrithiotriacetate

4. Pbc821306w

5. Acetic Acid, 2,2',2''-(methylidynetris(thio))tris-, Magnesium Salt

6. 59672-35-4

7. Unii-pbc821306w

8. Q27286454

2.4 Create Date

2015-02-20

3 Chemical and Physical Properties

Molecular Formula	C₇H₈MgO₆S₃
Molecular Weight	308.6 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	307.9333432 g/mol
Monoisotopic Mass	307.9333432 g/mol
Topological Polar Surface Area	194 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	240
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

Ritiometan Magnesium