zinc N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate

C8H14N2S4Zn — CID 15651749

IUPACzinc N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate
SMILESS=C([S-])NCCCCCCNC(=S)[S-].[Zn+2]
InChIInChI=1S/C8H16N2S4.Zn/c11-7(12)9-5-3-1-2-4-6-10-8(13)14;/h1-6H2,(H2,9,11,12)(H2,10,13,14);/q;+2/p-2
InChIKeyDZZVQLRHSMKSGS-UHFFFAOYSA-L
MW331.87 g/mol
LogP1.39
Rot. Bonds7

About zinc N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate

zinc N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate (PubChem CID 15651749) has the molecular formula C8H14N2S4Zn and a molecular weight of 331.87 g/mol. Its IUPAC name is zinc N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate.

Molecular Properties

Compound Namezinc N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate
PubChem CID15651749
Molecular FormulaC8H14N2S4Zn
Molecular Weight331.87 g/mol
Exact Mass329.93
IUPAC Namezinc N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate
SMILESS=C([S-])NCCCCCCNC(=S)[S-].[Zn+2]
InChIInChI=1S/C8H16N2S4.Zn/c11-7(12)9-5-3-1-2-4-6-10-8(13)14;/h1-6H2,(H2,9,11,12)(H2,10,13,14);/q;+2/p-2
InChIKeyDZZVQLRHSMKSGS-UHFFFAOYSA-L
XLogP1.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

zinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate
CID 12898683
tetrakis(N-hexylcarbamodithioate);molybdenum(4+)
CID 157134437
zinc bis(N-(6-methylheptyl)carbamodithioate)
CID 141144975
tetrasodium bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)
CID 23447061
bis(copper(1+));N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
CID 87101556
disodium;formaldehyde;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
CID 173431312
sodium;zinc;N-butylcarbamodithioate;bis(N,N-diethylcarbamodithioate)
CID 173191465
sodium N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]carbamodithioate
CID 90475849
potassium N-(2-sulfoethyl)carbamodithioate
CID 158001071
8-(dithiocarboxyamino)octylcarbamodithioic acid
CID 158913905
diazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate
CID 87867679
N,N'-didodecylheptanedithioamide
CID 23451988

Frequently Asked Questions

What is the IUPAC name of zinc N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate?
The IUPAC name of zinc N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate (CID 15651749) is zinc N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate.
What is the SMILES notation for zinc N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate?
The canonical SMILES for zinc N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate is S=C([S-])NCCCCCCNC(=S)[S-].[Zn+2].
What is the InChIKey of zinc N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate?
The InChIKey is DZZVQLRHSMKSGS-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H16N2S4.Zn/c11-7(12)9-5-3-1-2-4-6-10-8(13)14;/h1-6H2,(H2,9,11,12)(H2,10,13,14);/q;+2/p-2.
What are the key properties of zinc N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate?
zinc N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate has a molecular weight of 331.87 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate is sourced from PubChem (CID 15651749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).