zinc;dimethylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid;tetramethylazanium

C11H27N4S6Zn+3 — CID 86735534

IUPACzinc;dimethylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid;tetramethylazanium
SMILESCN(C)C(=S)S.C[N+](C)(C)C.S=C(S)NCCNC(=S)S.[Zn+2]
InChIInChI=1S/C4H8N2S4.C4H12N.C3H7NS2.Zn/c7-3(8)5-1-2-6-4(9)10;1-5(2,3)4;1-4(2)3(5)6;/h1-2H2,(H2,5,7,8)(H2,6,9,10);1-4H3;1-2H3,(H,5,6);/q;+1;;+2
InChIKeyDZWAQWNZUDJVJO-UHFFFAOYSA-N
MW473.16 g/mol
LogP1.68
Rot. Bonds3

About zinc;dimethylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid;tetramethylazanium

zinc;dimethylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid;tetramethylazanium (PubChem CID 86735534) has the molecular formula C11H27N4S6Zn+3 and a molecular weight of 473.16 g/mol. Its IUPAC name is zinc;dimethylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid;tetramethylazanium.

Molecular Properties

Compound Namezinc;dimethylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid;tetramethylazanium
PubChem CID86735534
Molecular FormulaC11H27N4S6Zn+3
Molecular Weight473.16 g/mol
Exact Mass470.98
IUPAC Namezinc;dimethylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid;tetramethylazanium
SMILESCN(C)C(=S)S.C[N+](C)(C)C.S=C(S)NCCNC(=S)S.[Zn+2]
InChIInChI=1S/C4H8N2S4.C4H12N.C3H7NS2.Zn/c7-3(8)5-1-2-6-4(9)10;1-5(2,3)4;1-4(2)3(5)6;/h1-2H2,(H2,5,7,8)(H2,6,9,10);1-4H3;1-2H3,(H,5,6);/q;+1;;+2
InChIKeyDZWAQWNZUDJVJO-UHFFFAOYSA-N
XLogP1.68
TPSA27.30 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.16
LogP ≤ 51.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc;dimethylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid;tetramethylazanium?
The IUPAC name of zinc;dimethylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid;tetramethylazanium (CID 86735534) is zinc;dimethylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid;tetramethylazanium.
What is the SMILES notation for zinc;dimethylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid;tetramethylazanium?
The canonical SMILES for zinc;dimethylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid;tetramethylazanium is CN(C)C(=S)S.C[N+](C)(C)C.S=C(S)NCCNC(=S)S.[Zn+2].
What is the InChIKey of zinc;dimethylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid;tetramethylazanium?
The InChIKey is DZWAQWNZUDJVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S4.C4H12N.C3H7NS2.Zn/c7-3(8)5-1-2-6-4(9)10;1-5(2,3)4;1-4(2)3(5)6;/h1-2H2,(H2,5,7,8)(H2,6,9,10);1-4H3;1-2H3,(H,5,6);/q;+1;;+2.
What are the key properties of zinc;dimethylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid;tetramethylazanium?
zinc;dimethylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid;tetramethylazanium has a molecular weight of 473.16 g/mol, XLogP of 1.68, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;dimethylcarbamodithioic acid;2-(dithiocarboxyamino)ethylcarbamodithioic acid;tetramethylazanium is sourced from PubChem (CID 86735534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).