General Information

MaintermZINC DIBENZYLDITHIOCARBAMATE
CAS Reg.No.(or other ID)14726-36-4
Regnum 175.105
177.2600

From www.fda.gov

Computed Descriptors

Download SDF
2D Structure
CID84610
IUPAC Namezinc;N,N-dibenzylcarbamodithioate
InChIInChI=1S/2C15H15NS2.Zn/c2*17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h2*1-10H,11-12H2,(H,17,18);/q;;+2/p-2
InChI KeyAUMBZPPBWALQRO-UHFFFAOYSA-L
Canonical SMILESC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)[S-].C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)[S-].[Zn+2]
Molecular FormulaC30H28N2S4Zn
Wikipediazinc dibenzyldithiocarbamate

From Pubchem


Computed Properties

Property Name Property Value
Molecular Weight610.188
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Complexity230.0
CACTVS Substructure Key Fingerprint A A A D c e B 7 A 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 w Y M G A A A A A A A A B V A A A H A Q A A A A A D A D B G A Q w A I M A A A C E A i B C A A C C A A A g A A g I i A A I B I g I I C K A k R G E I A h g g A C I i A c Q g A A O 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 Area72.7
Monoisotopic Mass608.043
Exact Mass608.043
Compound Is CanonicalizedTrue
Formal Charge0
Heavy Atom Count37
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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassNot available
Intermediate Tree NodesNot available
Direct ParentBenzene and substituted derivatives
Alternative Parents
Molecular FrameworkNot available
SubstituentsMonocyclic benzene moiety - Organic transition metal salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.

From ClassyFire