magnesium;2-(dithiocarboxyamino)ethylcarbamodithioic acid;hydride

C4H10MgN2S4 — CID 174341714

IUPACmagnesium;2-(dithiocarboxyamino)ethylcarbamodithioic acid;hydride
SMILESS=C(S)NCCNC(=S)S.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H8N2S4.Mg.2H/c7-3(8)5-1-2-6-4(9)10;;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);;;/q;+2;2*-1
InChIKeyXPWWVRSKIRSYML-UHFFFAOYSA-N
MW238.71 g/mol
LogP0.44
Rot. Bonds3

About magnesium;2-(dithiocarboxyamino)ethylcarbamodithioic acid;hydride

magnesium;2-(dithiocarboxyamino)ethylcarbamodithioic acid;hydride (PubChem CID 174341714) has the molecular formula C4H10MgN2S4 and a molecular weight of 238.71 g/mol. Its IUPAC name is magnesium;2-(dithiocarboxyamino)ethylcarbamodithioic acid;hydride.

Molecular Properties

Compound Namemagnesium;2-(dithiocarboxyamino)ethylcarbamodithioic acid;hydride
PubChem CID174341714
Molecular FormulaC4H10MgN2S4
Molecular Weight238.71 g/mol
Exact Mass237.96
IUPAC Namemagnesium;2-(dithiocarboxyamino)ethylcarbamodithioic acid;hydride
SMILESS=C(S)NCCNC(=S)S.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H8N2S4.Mg.2H/c7-3(8)5-1-2-6-4(9)10;;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);;;/q;+2;2*-1
InChIKeyXPWWVRSKIRSYML-UHFFFAOYSA-N
XLogP0.44
TPSA24.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;2-(dithiocarboxyamino)ethylcarbamodithioic acid;hydride?
The IUPAC name of magnesium;2-(dithiocarboxyamino)ethylcarbamodithioic acid;hydride (CID 174341714) is magnesium;2-(dithiocarboxyamino)ethylcarbamodithioic acid;hydride.
What is the SMILES notation for magnesium;2-(dithiocarboxyamino)ethylcarbamodithioic acid;hydride?
The canonical SMILES for magnesium;2-(dithiocarboxyamino)ethylcarbamodithioic acid;hydride is S=C(S)NCCNC(=S)S.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2-(dithiocarboxyamino)ethylcarbamodithioic acid;hydride?
The InChIKey is XPWWVRSKIRSYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S4.Mg.2H/c7-3(8)5-1-2-6-4(9)10;;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);;;/q;+2;2*-1.
What are the key properties of magnesium;2-(dithiocarboxyamino)ethylcarbamodithioic acid;hydride?
magnesium;2-(dithiocarboxyamino)ethylcarbamodithioic acid;hydride has a molecular weight of 238.71 g/mol, XLogP of 0.44, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-(dithiocarboxyamino)ethylcarbamodithioic acid;hydride is sourced from PubChem (CID 174341714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).