2-methylpropanedithioate;zinc

C4H7S2Zn- — CID 171466313

IUPAC2-methylpropanedithioate;zinc
SMILESCC(C)C(=S)[S-].[Zn]
InChIInChI=1S/C4H8S2.Zn/c1-3(2)4(5)6;/h3H,1-2H3,(H,5,6);/p-1
InChIKeyLDHXOKRRZGFQGG-UHFFFAOYSA-M
MW184.62 g/mol
LogP1.51
Rot. Bonds1

About 2-methylpropanedithioate;zinc

2-methylpropanedithioate;zinc (PubChem CID 171466313) has the molecular formula C4H7S2Zn- and a molecular weight of 184.62 g/mol. Its IUPAC name is 2-methylpropanedithioate;zinc.

Molecular Properties

Compound Name2-methylpropanedithioate;zinc
PubChem CID171466313
Molecular FormulaC4H7S2Zn-
Molecular Weight184.62 g/mol
Exact Mass182.93
IUPAC Name2-methylpropanedithioate;zinc
SMILESCC(C)C(=S)[S-].[Zn]
InChIInChI=1S/C4H8S2.Zn/c1-3(2)4(5)6;/h3H,1-2H3,(H,5,6);/p-1
InChIKeyLDHXOKRRZGFQGG-UHFFFAOYSA-M
XLogP1.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropanedithioate;zinc?
The IUPAC name of 2-methylpropanedithioate;zinc (CID 171466313) is 2-methylpropanedithioate;zinc.
What is the SMILES notation for 2-methylpropanedithioate;zinc?
The canonical SMILES for 2-methylpropanedithioate;zinc is CC(C)C(=S)[S-].[Zn].
What is the InChIKey of 2-methylpropanedithioate;zinc?
The InChIKey is LDHXOKRRZGFQGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8S2.Zn/c1-3(2)4(5)6;/h3H,1-2H3,(H,5,6);/p-1.
What are the key properties of 2-methylpropanedithioate;zinc?
2-methylpropanedithioate;zinc has a molecular weight of 184.62 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanedithioate;zinc is sourced from PubChem (CID 171466313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).