zinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate

C5H8N2S4Zn — CID 12898683

IUPACzinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate
SMILESS=C([S-])NCCCNC(=S)[S-].[Zn+2]
InChIInChI=1S/C5H10N2S4.Zn/c8-4(9)6-2-1-3-7-5(10)11;/h1-3H2,(H2,6,8,9)(H2,7,10,11);/q;+2/p-2
InChIKeyOKXSZVMQSGQANJ-UHFFFAOYSA-L
MW289.79 g/mol
LogP0.22
Rot. Bonds4

About zinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate

zinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate (PubChem CID 12898683) has the molecular formula C5H8N2S4Zn and a molecular weight of 289.79 g/mol. Its IUPAC name is zinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate.

Molecular Properties

Compound Namezinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate
PubChem CID12898683
Molecular FormulaC5H8N2S4Zn
Molecular Weight289.79 g/mol
Exact Mass287.89
IUPAC Namezinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate
SMILESS=C([S-])NCCCNC(=S)[S-].[Zn+2]
InChIInChI=1S/C5H10N2S4.Zn/c8-4(9)6-2-1-3-7-5(10)11;/h1-3H2,(H2,6,8,9)(H2,7,10,11);/q;+2/p-2
InChIKeyOKXSZVMQSGQANJ-UHFFFAOYSA-L
XLogP0.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 50.22
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

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CID 15651749
tetrasodium bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)
CID 23447061
bis(copper(1+));N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
CID 87101556
zinc;manganese(2+);methane;bis(4-(sulfidocarbothioylamino)butanedithioate)
CID 161215587
zinc bis(N-(6-methylheptyl)carbamodithioate)
CID 141144975
tetrakis(N-hexylcarbamodithioate);molybdenum(4+)
CID 157134437
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
diazanium;N-[(sulfidocarbothioylamino)methyl]carbamodithioate
CID 87867679
N-[3-(ethanethioylamino)propyl]ethanethioamide
CID 86234724
potassium N-(2-sulfoethyl)carbamodithioate
CID 158001071

Frequently Asked Questions

What is the IUPAC name of zinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate?
The IUPAC name of zinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate (CID 12898683) is zinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate.
What is the SMILES notation for zinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate?
The canonical SMILES for zinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate is S=C([S-])NCCCNC(=S)[S-].[Zn+2].
What is the InChIKey of zinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate?
The InChIKey is OKXSZVMQSGQANJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H10N2S4.Zn/c8-4(9)6-2-1-3-7-5(10)11;/h1-3H2,(H2,6,8,9)(H2,7,10,11);/q;+2/p-2.
What are the key properties of zinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate?
zinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate has a molecular weight of 289.79 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate is sourced from PubChem (CID 12898683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).