zinc bis(N-(1-methoxypropyl)carbamodithioate)

C10H20N2O2S4Zn — CID 175426112

IUPACzinc bis(N-(1-methoxypropyl)carbamodithioate)
SMILESCCC(NC(=S)[S-])OC.CCC(NC(=S)[S-])OC.[Zn+2]
InChIInChI=1S/2C5H11NOS2.Zn/c2*1-3-4(7-2)6-5(8)9;/h2*4H,3H2,1-2H3,(H2,6,8,9);/q;;+2/p-2
InChIKeyHJQSZSLHDICATE-UHFFFAOYSA-L
MW393.94 g/mol
LogP1.58
Rot. Bonds6

About zinc bis(N-(1-methoxypropyl)carbamodithioate)

zinc bis(N-(1-methoxypropyl)carbamodithioate) (PubChem CID 175426112) has the molecular formula C10H20N2O2S4Zn and a molecular weight of 393.94 g/mol. Its IUPAC name is zinc bis(N-(1-methoxypropyl)carbamodithioate).

Molecular Properties

Compound Namezinc bis(N-(1-methoxypropyl)carbamodithioate)
PubChem CID175426112
Molecular FormulaC10H20N2O2S4Zn
Molecular Weight393.94 g/mol
Exact Mass391.97
IUPAC Namezinc bis(N-(1-methoxypropyl)carbamodithioate)
SMILESCCC(NC(=S)[S-])OC.CCC(NC(=S)[S-])OC.[Zn+2]
InChIInChI=1S/2C5H11NOS2.Zn/c2*1-3-4(7-2)6-5(8)9;/h2*4H,3H2,1-2H3,(H2,6,8,9);/q;;+2/p-2
InChIKeyHJQSZSLHDICATE-UHFFFAOYSA-L
XLogP1.58
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-methoxypropyl)benzamide
CID 102478557
N,1-dimethoxypropan-1-amine
CID 165031120
copper N-[1-(sulfidocarbothioylamino)ethyl]carbamodithioate
CID 141002094
tris(N-hexan-2-ylcarbamodithioate);indium(3+)
CID 159916706
sodium N-heptan-2-ylcarbamodithioate
CID 23720858
sodium methoxymethanedithioate
CID 23681518
copper bis(methoxymethanedithioate)
CID 88839532
N-(2-hydroxy-1-methoxyethyl)propanamide
CID 22735160
dipotassium bis(N-(1-carboxybutyl)carbamodithioate)
CID 173417126
copper(1+);N-(1-ethenoxyethyl)carbamodithioate
CID 21156188
1,3-di(butan-2-yl)thiourea
CID 5366322
zinc N-[1-(sulfidocarbothioylamino)propan-2-yl]carbamothioate
CID 21357618

Frequently Asked Questions

What is the IUPAC name of zinc bis(N-(1-methoxypropyl)carbamodithioate)?
The IUPAC name of zinc bis(N-(1-methoxypropyl)carbamodithioate) (CID 175426112) is zinc bis(N-(1-methoxypropyl)carbamodithioate).
What is the SMILES notation for zinc bis(N-(1-methoxypropyl)carbamodithioate)?
The canonical SMILES for zinc bis(N-(1-methoxypropyl)carbamodithioate) is CCC(NC(=S)[S-])OC.CCC(NC(=S)[S-])OC.[Zn+2].
What is the InChIKey of zinc bis(N-(1-methoxypropyl)carbamodithioate)?
The InChIKey is HJQSZSLHDICATE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H11NOS2.Zn/c2*1-3-4(7-2)6-5(8)9;/h2*4H,3H2,1-2H3,(H2,6,8,9);/q;;+2/p-2.
What are the key properties of zinc bis(N-(1-methoxypropyl)carbamodithioate)?
zinc bis(N-(1-methoxypropyl)carbamodithioate) has a molecular weight of 393.94 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(N-(1-methoxypropyl)carbamodithioate) is sourced from PubChem (CID 175426112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).