tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+)

C12H24N4S8Zr — CID 174384958

IUPACtetrakis(N,N-dimethylcarbamodithioate);zirconium(4+)
SMILESCN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zr+4]
InChIInChI=1S/4C3H7NS2.Zr/c4*1-4(2)3(5)6;/h4*1-2H3,(H,5,6);/q;;;;+4/p-4
InChIKeyJNQYHLAZDTXMCQ-UHFFFAOYSA-J
MW572.11 g/mol
LogP1.52
Rot. Bonds

About tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+)

tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+) (PubChem CID 174384958) has the molecular formula C12H24N4S8Zr and a molecular weight of 572.11 g/mol. Its IUPAC name is tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+).

Molecular Properties

Compound Nametetrakis(N,N-dimethylcarbamodithioate);zirconium(4+)
PubChem CID174384958
Molecular FormulaC12H24N4S8Zr
Molecular Weight572.11 g/mol
Exact Mass569.88
IUPAC Nametetrakis(N,N-dimethylcarbamodithioate);zirconium(4+)
SMILESCN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zr+4]
InChIInChI=1S/4C3H7NS2.Zr/c4*1-4(2)3(5)6;/h4*1-2H3,(H,5,6);/q;;;;+4/p-4
InChIKeyJNQYHLAZDTXMCQ-UHFFFAOYSA-J
XLogP1.52
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.11
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

disodium bis(N,N-dimethylcarbamodithioate)
CID 160761819
potassium N,N-dimethylcarbamodithioate
CID 23662387
zinc;bis(N,N-dimethylcarbamodithioate);fluoride;iodide
CID 22294344
carbamodithioic acid;tris(N,N-dimethylcarbamodithioate);iron(3+)
CID 173018200
sodium N-methyl-N-sulfanylcarbamodithioate
CID 172812180
zinc;3-(dimethylamino)thiirane-2-thiolate;N,N-dimethylcarbamodithioate
CID 149053660
dimethylamino(sulfanylidene)methanesulfinate;bis(N,N-dimethylcarbamodithioate);iron(3+)
CID 134094508
N,N-dimethylcarbamodithioate;trioctylstannanylium
CID 20561757
carbon monoxide;bis(N,N-dimethylcarbamodithioate);[di(propan-2-yl)amino]methylidenetungsten
CID 10974000
copper bis(N-ethyl-N-methylcarbamodithioate)
CID 18793600
disodium;ethanebis(dithioate)
CID 87697624
CID 134917346
CID 134917346

Frequently Asked Questions

What is the IUPAC name of tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+)?
The IUPAC name of tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+) (CID 174384958) is tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+).
What is the SMILES notation for tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+)?
The canonical SMILES for tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+) is CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zr+4].
What is the InChIKey of tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+)?
The InChIKey is JNQYHLAZDTXMCQ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C3H7NS2.Zr/c4*1-4(2)3(5)6;/h4*1-2H3,(H,5,6);/q;;;;+4/p-4.
What are the key properties of tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+)?
tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+) has a molecular weight of 572.11 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+) is sourced from PubChem (CID 174384958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).