ZINC BUTYL XANTHATE

General Information

MaintermZINC BUTYL XANTHATE
CAS Reg.No.(or other ID)150-88-9
Regnum 177.2600

From www.fda.gov

Computed Descriptors

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2D Structure
CID9019
IUPAC Namezinc;butoxymethanedithioate
InChIInChI=1S/2C5H10OS2.Zn/c2*1-2-3-4-6-5(7)8;/h2*2-4H2,1H3,(H,7,8);/q;;+2/p-2
InChI KeyNEYNBSGIXOOZGZ-UHFFFAOYSA-L
Canonical SMILESCCCCOC(=S)[S-].CCCCOC(=S)[S-].[Zn+2]
Molecular FormulaC10H18O2S4Zn
Wikipediazinc butylxanthate

From Pubchem

Computed Properties

Property Name Property Value
Molecular Weight363.872
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Complexity67.3
CACTVS Substructure Key Fingerprint A A A D c e B w M A B w A A A C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G g Q A A A A A C A C g g A I C A A A A B A A E A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A E A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area84.6
Monoisotopic Mass361.948
Exact Mass361.948
Compound Is CanonicalizedTrue
Formal Charge0
Heavy Atom Count17
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count3

From Pubchem

Taxonomic Classification

KingdomOrganic compounds
SuperclassOrganic salts
ClassOrganic metal salts
SubclassOrganic transition metal salts
Intermediate Tree NodesNot available
Direct ParentOrganic transition metal salts
Alternative Parents
Molecular FrameworkNot available
SubstituentsOrganic transition metal salt - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as organic transition metal salts. These are organic salt compounds containing a transition metal atom in its ionic form.

From ClassyFire