bis(N,N-diethylcarbamodithioate);dioxomolybdenum(2+)

C10H20MoN2O2S4 — CID 10960858

IUPACbis(N,N-diethylcarbamodithioate);dioxomolybdenum(2+)
SMILESCCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].O=[Mo+2]=O
InChIInChI=1S/2C5H11NS2.Mo.2O/c2*1-3-6(4-2)5(7)8;;;/h2*3-4H2,1-2H3,(H,7,8);;;/q;;+2;;/p-2
InChIKeyVEIIJBMUSYIGRD-UHFFFAOYSA-L
MW424.49 g/mol
LogP2.08
Rot. Bonds4

About bis(N,N-diethylcarbamodithioate);dioxomolybdenum(2+)

bis(N,N-diethylcarbamodithioate);dioxomolybdenum(2+) (PubChem CID 10960858) has the molecular formula C10H20MoN2O2S4 and a molecular weight of 424.49 g/mol. Its IUPAC name is bis(N,N-diethylcarbamodithioate);dioxomolybdenum(2+).

Molecular Properties

Compound Namebis(N,N-diethylcarbamodithioate);dioxomolybdenum(2+)
PubChem CID10960858
Molecular FormulaC10H20MoN2O2S4
Molecular Weight424.49 g/mol
Exact Mass425.95
IUPAC Namebis(N,N-diethylcarbamodithioate);dioxomolybdenum(2+)
SMILESCCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].O=[Mo+2]=O
InChIInChI=1S/2C5H11NS2.Mo.2O/c2*1-3-6(4-2)5(7)8;;;/h2*3-4H2,1-2H3,(H,7,8);;;/q;;+2;;/p-2
InChIKeyVEIIJBMUSYIGRD-UHFFFAOYSA-L
XLogP2.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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(N,N-diethylcarbamodithioate);dioxomolybdenum(2+)?
The IUPAC name of bis(N,N-diethylcarbamodithioate);dioxomolybdenum(2+) (CID 10960858) is bis(N,N-diethylcarbamodithioate);dioxomolybdenum(2+).
What is the SMILES notation for bis(N,N-diethylcarbamodithioate);dioxomolybdenum(2+)?
The canonical SMILES for bis(N,N-diethylcarbamodithioate);dioxomolybdenum(2+) is CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].O=[Mo+2]=O.
What is the InChIKey of bis(N,N-diethylcarbamodithioate);dioxomolybdenum(2+)?
The InChIKey is VEIIJBMUSYIGRD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H11NS2.Mo.2O/c2*1-3-6(4-2)5(7)8;;;/h2*3-4H2,1-2H3,(H,7,8);;;/q;;+2;;/p-2.
What are the key properties of bis(N,N-diethylcarbamodithioate);dioxomolybdenum(2+)?
bis(N,N-diethylcarbamodithioate);dioxomolybdenum(2+) has a molecular weight of 424.49 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-diethylcarbamodithioate);dioxomolybdenum(2+) is sourced from PubChem (CID 10960858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).