zinc;bis(N,N-dimethylcarbamodithioate);fluoride;iodide

C6H12FIN2S4Zn-2 — CID 22294344

IUPACzinc;bis(N,N-dimethylcarbamodithioate);fluoride;iodide
SMILESCN(C)C(=S)[S-].CN(C)C(=S)[S-].[F-].[I-].[Zn+2]
InChIInChI=1S/2C3H7NS2.FH.HI.Zn/c2*1-4(2)3(5)6;;;/h2*1-2H3,(H,5,6);2*1H;/q;;;;+2/p-4
InChIKeyNAGLJJBGWHMDAI-UHFFFAOYSA-J
MW451.74 g/mol
LogP-5.23
Rot. Bonds

About zinc;bis(N,N-dimethylcarbamodithioate);fluoride;iodide

zinc;bis(N,N-dimethylcarbamodithioate);fluoride;iodide (PubChem CID 22294344) has the molecular formula C6H12FIN2S4Zn-2 and a molecular weight of 451.74 g/mol. Its IUPAC name is zinc;bis(N,N-dimethylcarbamodithioate);fluoride;iodide.

Molecular Properties

Compound Namezinc;bis(N,N-dimethylcarbamodithioate);fluoride;iodide
PubChem CID22294344
Molecular FormulaC6H12FIN2S4Zn-2
Molecular Weight451.74 g/mol
Exact Mass449.82
IUPAC Namezinc;bis(N,N-dimethylcarbamodithioate);fluoride;iodide
SMILESCN(C)C(=S)[S-].CN(C)C(=S)[S-].[F-].[I-].[Zn+2]
InChIInChI=1S/2C3H7NS2.FH.HI.Zn/c2*1-4(2)3(5)6;;;/h2*1-2H3,(H,5,6);2*1H;/q;;;;+2/p-4
InChIKeyNAGLJJBGWHMDAI-UHFFFAOYSA-J
XLogP-5.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.74
LogP ≤ 5-5.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+)
CID 174384958
disodium bis(N,N-dimethylcarbamodithioate)
CID 160761819
potassium N,N-dimethylcarbamodithioate
CID 23662387
carbamodithioic acid;tris(N,N-dimethylcarbamodithioate);iron(3+)
CID 173018200
zinc;3-(dimethylamino)thiirane-2-thiolate;N,N-dimethylcarbamodithioate
CID 149053660
sodium N-methyl-N-sulfanylcarbamodithioate
CID 172812180
dizinc bis(N-[3-amino-2-carbamothioyl-1-[methyl(sulfidocarbothioyl)amino]-3-sulfanylidenepropyl]-N-methylcarbamodithioate)
CID 141343350
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

Frequently Asked Questions

What is the IUPAC name of zinc;bis(N,N-dimethylcarbamodithioate);fluoride;iodide?
The IUPAC name of zinc;bis(N,N-dimethylcarbamodithioate);fluoride;iodide (CID 22294344) is zinc;bis(N,N-dimethylcarbamodithioate);fluoride;iodide.
What is the SMILES notation for zinc;bis(N,N-dimethylcarbamodithioate);fluoride;iodide?
The canonical SMILES for zinc;bis(N,N-dimethylcarbamodithioate);fluoride;iodide is CN(C)C(=S)[S-].CN(C)C(=S)[S-].[F-].[I-].[Zn+2].
What is the InChIKey of zinc;bis(N,N-dimethylcarbamodithioate);fluoride;iodide?
The InChIKey is NAGLJJBGWHMDAI-UHFFFAOYSA-J. The full InChI is InChI=1S/2C3H7NS2.FH.HI.Zn/c2*1-4(2)3(5)6;;;/h2*1-2H3,(H,5,6);2*1H;/q;;;;+2/p-4.
What are the key properties of zinc;bis(N,N-dimethylcarbamodithioate);fluoride;iodide?
zinc;bis(N,N-dimethylcarbamodithioate);fluoride;iodide has a molecular weight of 451.74 g/mol, XLogP of -5.23, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis(N,N-dimethylcarbamodithioate);fluoride;iodide is sourced from PubChem (CID 22294344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).