magnesium dicarbamodithioate

C2H4MgN2S4 — CID 23080754

IUPACmagnesium dicarbamodithioate
SMILESNC(=S)[S-].NC(=S)[S-].[Mg+2]
InChIInChI=1S/2CH3NS2.Mg/c2*2-1(3)4;/h2*(H3,2,3,4);/q;;+2/p-2
InChIKeyKITLTFRGASVPBY-UHFFFAOYSA-L
MW208.64 g/mol
LogP-0.83
Rot. Bonds

About magnesium dicarbamodithioate

magnesium dicarbamodithioate (PubChem CID 23080754) has the molecular formula C2H4MgN2S4 and a molecular weight of 208.64 g/mol. Its IUPAC name is magnesium dicarbamodithioate.

Molecular Properties

Compound Namemagnesium dicarbamodithioate
PubChem CID23080754
Molecular FormulaC2H4MgN2S4
Molecular Weight208.64 g/mol
Exact Mass207.91
IUPAC Namemagnesium dicarbamodithioate
SMILESNC(=S)[S-].NC(=S)[S-].[Mg+2]
InChIInChI=1S/2CH3NS2.Mg/c2*2-1(3)4;/h2*(H3,2,3,4);/q;;+2/p-2
InChIKeyKITLTFRGASVPBY-UHFFFAOYSA-L
XLogP-0.83
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

gold(1+) carbamodithioate
CID 118378800
bis(molybdenum(4+)) dicarbamodithioate
CID 158550318
molybdenum carbamodithioate
CID 141150740
molybdenum;zinc;carbamodithioate
CID 174974213
ethane;iron(3+);carbamodithioate
CID 175496222
bis(carbamodithioic acid);molybdenum(4+);sulfane;tetracarbamodithioate
CID 172856917
zinc;ethane;lanthanum(3+);tricarbamodithioate
CID 175530915
disodium;ethanebis(dithioate)
CID 87697624
sodium;carbamodithioic acid;hydride
CID 173103786
sodium sulfaniumylmethanedithioate
CID 59660069
bis(carbamodithioic acid);bis(iminomethanedithiolate);molybdenum(4+)
CID 170850378
N-ethylethanamine;manganese(2+);dicarbamodithioate
CID 158567550

Frequently Asked Questions

What is the IUPAC name of magnesium dicarbamodithioate?
The IUPAC name of magnesium dicarbamodithioate (CID 23080754) is magnesium dicarbamodithioate.
What is the SMILES notation for magnesium dicarbamodithioate?
The canonical SMILES for magnesium dicarbamodithioate is NC(=S)[S-].NC(=S)[S-].[Mg+2].
What is the InChIKey of magnesium dicarbamodithioate?
The InChIKey is KITLTFRGASVPBY-UHFFFAOYSA-L. The full InChI is InChI=1S/2CH3NS2.Mg/c2*2-1(3)4;/h2*(H3,2,3,4);/q;;+2/p-2.
What are the key properties of magnesium dicarbamodithioate?
magnesium dicarbamodithioate has a molecular weight of 208.64 g/mol, XLogP of -0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium dicarbamodithioate is sourced from PubChem (CID 23080754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).