bis(molybdenum(4+)) dicarbamodithioate

C2H4Mo2N2S4+6 — CID 158550318

IUPACbis(molybdenum(4+)) dicarbamodithioate
SMILESNC(=S)[S-].NC(=S)[S-].[Mo+4].[Mo+4]
InChIInChI=1S/2CH3NS2.2Mo/c2*2-1(3)4;;/h2*(H3,2,3,4);;/q;;2*+4/p-2
InChIKeyHPQBVEOXSLLAKF-UHFFFAOYSA-L
MW376.22 g/mol
LogP-0.45
Rot. Bonds

About bis(molybdenum(4+)) dicarbamodithioate

bis(molybdenum(4+)) dicarbamodithioate (PubChem CID 158550318) has the molecular formula C2H4Mo2N2S4+6 and a molecular weight of 376.22 g/mol. Its IUPAC name is bis(molybdenum(4+)) dicarbamodithioate.

Molecular Properties

Compound Namebis(molybdenum(4+)) dicarbamodithioate
PubChem CID158550318
Molecular FormulaC2H4Mo2N2S4+6
Molecular Weight376.22 g/mol
Exact Mass379.73
IUPAC Namebis(molybdenum(4+)) dicarbamodithioate
SMILESNC(=S)[S-].NC(=S)[S-].[Mo+4].[Mo+4]
InChIInChI=1S/2CH3NS2.2Mo/c2*2-1(3)4;;/h2*(H3,2,3,4);;/q;;2*+4/p-2
InChIKeyHPQBVEOXSLLAKF-UHFFFAOYSA-L
XLogP-0.45
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 5-0.45
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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Frequently Asked Questions

What is the IUPAC name of bis(molybdenum(4+)) dicarbamodithioate?
The IUPAC name of bis(molybdenum(4+)) dicarbamodithioate (CID 158550318) is bis(molybdenum(4+)) dicarbamodithioate.
What is the SMILES notation for bis(molybdenum(4+)) dicarbamodithioate?
The canonical SMILES for bis(molybdenum(4+)) dicarbamodithioate is NC(=S)[S-].NC(=S)[S-].[Mo+4].[Mo+4].
What is the InChIKey of bis(molybdenum(4+)) dicarbamodithioate?
The InChIKey is HPQBVEOXSLLAKF-UHFFFAOYSA-L. The full InChI is InChI=1S/2CH3NS2.2Mo/c2*2-1(3)4;;/h2*(H3,2,3,4);;/q;;2*+4/p-2.
What are the key properties of bis(molybdenum(4+)) dicarbamodithioate?
bis(molybdenum(4+)) dicarbamodithioate has a molecular weight of 376.22 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(molybdenum(4+)) dicarbamodithioate is sourced from PubChem (CID 158550318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).