zinc N-[2-(dithiocarboxyamino)propyl]carbamodithioate

C5H9N2S4Zn+ — CID 159161097

IUPACzinc N-[2-(dithiocarboxyamino)propyl]carbamodithioate
SMILESCC(CNC(=S)[S-])NC(=S)S.[Zn+2]
InChIInChI=1S/C5H10N2S4.Zn/c1-3(7-5(10)11)2-6-4(8)9;/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);/q;+2/p-1
InChIKeyKKMLIVYBGSAJPM-UHFFFAOYSA-M
MW290.80 g/mol
LogP0.60
Rot. Bonds3

About zinc N-[2-(dithiocarboxyamino)propyl]carbamodithioate

zinc N-[2-(dithiocarboxyamino)propyl]carbamodithioate (PubChem CID 159161097) has the molecular formula C5H9N2S4Zn+ and a molecular weight of 290.80 g/mol. Its IUPAC name is zinc N-[2-(dithiocarboxyamino)propyl]carbamodithioate.

Molecular Properties

Compound Namezinc N-[2-(dithiocarboxyamino)propyl]carbamodithioate
PubChem CID159161097
Molecular FormulaC5H9N2S4Zn+
Molecular Weight290.80 g/mol
Exact Mass288.89
IUPAC Namezinc N-[2-(dithiocarboxyamino)propyl]carbamodithioate
SMILESCC(CNC(=S)[S-])NC(=S)S.[Zn+2]
InChIInChI=1S/C5H10N2S4.Zn/c1-3(7-5(10)11)2-6-4(8)9;/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);/q;+2/p-1
InChIKeyKKMLIVYBGSAJPM-UHFFFAOYSA-M
XLogP0.60
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

zinc;carbanide;N-[2-(methylsilylcarbothioylamino)propyl]carbamodithioate
CID 163802443
zinc N-[1-(sulfidocarbothioylamino)propan-2-yl]carbamothioate
CID 21357618
zinc;bis(2,4,5-trichlorophenyl)phosphane;diethylcarbamodithioic acid;1-(dithiocarboxyamino)propan-2-ylcarbamodithioic acid
CID 172797043
N-[2-(propanoylamino)propyl]propanamide
CID 3569677
propan-2-amine;propan-2-ylcarbamodithioic acid
CID 5355267
zinc bis(N-(6-methylheptyl)carbamodithioate)
CID 141144975
[(2R,3R)-3-aminobutan-2-yl]carbamodithioic acid
CID 130787867
zinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate
CID 12898683
copper N-[1-(sulfidocarbothioylamino)ethyl]carbamodithioate
CID 141002094
1-[1-(dithiocarboxyamino)cyclopropyl]ethylcarbamodithioic acid
CID 88713722
tris(N-hexan-2-ylcarbamodithioate);indium(3+)
CID 159916706
N-(2-ethylhexyl)carbamodithioate;molybdenum
CID 174269614

Frequently Asked Questions

What is the IUPAC name of zinc N-[2-(dithiocarboxyamino)propyl]carbamodithioate?
The IUPAC name of zinc N-[2-(dithiocarboxyamino)propyl]carbamodithioate (CID 159161097) is zinc N-[2-(dithiocarboxyamino)propyl]carbamodithioate.
What is the SMILES notation for zinc N-[2-(dithiocarboxyamino)propyl]carbamodithioate?
The canonical SMILES for zinc N-[2-(dithiocarboxyamino)propyl]carbamodithioate is CC(CNC(=S)[S-])NC(=S)S.[Zn+2].
What is the InChIKey of zinc N-[2-(dithiocarboxyamino)propyl]carbamodithioate?
The InChIKey is KKMLIVYBGSAJPM-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10N2S4.Zn/c1-3(7-5(10)11)2-6-4(8)9;/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);/q;+2/p-1.
What are the key properties of zinc N-[2-(dithiocarboxyamino)propyl]carbamodithioate?
zinc N-[2-(dithiocarboxyamino)propyl]carbamodithioate has a molecular weight of 290.80 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc N-[2-(dithiocarboxyamino)propyl]carbamodithioate is sourced from PubChem (CID 159161097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).