molybdenum(4+);sulfur monoxide;tetracarbamothioate

C4H8MoN4O5S5 — CID 158951605

IUPACmolybdenum(4+);sulfur monoxide;tetracarbamothioate
SMILESNC(=O)[S-].NC(=O)[S-].NC(=O)[S-].NC(=O)[S-].O=S.[Mo+4]
InChIInChI=1S/4CH3NOS.Mo.OS/c4*2-1(3)4;;1-2/h4*(H3,2,3,4);;/q;;;;+4;/p-4
InChIKeyJLMNLOTWPAOKAJ-UHFFFAOYSA-J
MW448.41 g/mol
LogP-1.89
Rot. Bonds

About molybdenum(4+);sulfur monoxide;tetracarbamothioate

molybdenum(4+);sulfur monoxide;tetracarbamothioate (PubChem CID 158951605) has the molecular formula C4H8MoN4O5S5 and a molecular weight of 448.41 g/mol. Its IUPAC name is molybdenum(4+);sulfur monoxide;tetracarbamothioate.

Molecular Properties

Compound Namemolybdenum(4+);sulfur monoxide;tetracarbamothioate
PubChem CID158951605
Molecular FormulaC4H8MoN4O5S5
Molecular Weight448.41 g/mol
Exact Mass449.82
IUPAC Namemolybdenum(4+);sulfur monoxide;tetracarbamothioate
SMILESNC(=O)[S-].NC(=O)[S-].NC(=O)[S-].NC(=O)[S-].O=S.[Mo+4]
InChIInChI=1S/4CH3NOS.Mo.OS/c4*2-1(3)4;;1-2/h4*(H3,2,3,4);;/q;;;;+4;/p-4
InChIKeyJLMNLOTWPAOKAJ-UHFFFAOYSA-J
XLogP-1.89
TPSA189.43 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.41
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

titanium(4+) tetracarbamothioate
CID 161037335
zinc;ethane;dicarbamothioate
CID 173004155
bis(molybdenum(4+)) dicarbamodithioate
CID 158550318
diamino(113C)methanone
CID 636363
bis(carbamodithioic acid);molybdenum(4+);sulfane;tetracarbamodithioate
CID 172856917
thiourea;urea
CID 22007323
molybdenum carbamodithioate
CID 141150740
dilithium;propanoic acid;dicarbamothioate
CID 173417261
magnesium dicarbamodithioate
CID 23080754
bis(carbamodithioic acid);bis(iminomethanedithiolate);molybdenum(4+)
CID 170850378
molybdenum;zinc;carbamodithioate
CID 174974213
azanium urea
CID 22635082

Frequently Asked Questions

What is the IUPAC name of molybdenum(4+);sulfur monoxide;tetracarbamothioate?
The IUPAC name of molybdenum(4+);sulfur monoxide;tetracarbamothioate (CID 158951605) is molybdenum(4+);sulfur monoxide;tetracarbamothioate.
What is the SMILES notation for molybdenum(4+);sulfur monoxide;tetracarbamothioate?
The canonical SMILES for molybdenum(4+);sulfur monoxide;tetracarbamothioate is NC(=O)[S-].NC(=O)[S-].NC(=O)[S-].NC(=O)[S-].O=S.[Mo+4].
What is the InChIKey of molybdenum(4+);sulfur monoxide;tetracarbamothioate?
The InChIKey is JLMNLOTWPAOKAJ-UHFFFAOYSA-J. The full InChI is InChI=1S/4CH3NOS.Mo.OS/c4*2-1(3)4;;1-2/h4*(H3,2,3,4);;/q;;;;+4;/p-4.
What are the key properties of molybdenum(4+);sulfur monoxide;tetracarbamothioate?
molybdenum(4+);sulfur monoxide;tetracarbamothioate has a molecular weight of 448.41 g/mol, XLogP of -1.89, 0 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum(4+);sulfur monoxide;tetracarbamothioate is sourced from PubChem (CID 158951605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).