chromium(3+);tris(ethoxymethanedithioate)

C9H15CrO3S6 — CID 18626808

IUPACchromium(3+);tris(ethoxymethanedithioate)
SMILESCCOC(=S)[S-].CCOC(=S)[S-].CCOC(=S)[S-].[Cr+3]
InChIInChI=1S/3C3H6OS2.Cr/c3*1-2-4-3(5)6;/h3*2H2,1H3,(H,5,6);/q;;;+3/p-3
InChIKeyGZULTXLFAGIYLU-UHFFFAOYSA-K
MW415.61 g/mol
LogP2.56
Rot. Bonds3

About chromium(3+);tris(ethoxymethanedithioate)

chromium(3+);tris(ethoxymethanedithioate) (PubChem CID 18626808) has the molecular formula C9H15CrO3S6 and a molecular weight of 415.61 g/mol. Its IUPAC name is chromium(3+);tris(ethoxymethanedithioate).

Molecular Properties

Compound Namechromium(3+);tris(ethoxymethanedithioate)
PubChem CID18626808
Molecular FormulaC9H15CrO3S6
Molecular Weight415.61 g/mol
Exact Mass414.88
IUPAC Namechromium(3+);tris(ethoxymethanedithioate)
SMILESCCOC(=S)[S-].CCOC(=S)[S-].CCOC(=S)[S-].[Cr+3]
InChIInChI=1S/3C3H6OS2.Cr/c3*1-2-4-3(5)6;/h3*2H2,1H3,(H,5,6);/q;;;+3/p-3
InChIKeyGZULTXLFAGIYLU-UHFFFAOYSA-K
XLogP2.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.61
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

lithium ethoxymethanedithioate
CID 23681493
bis(ethoxymethanedithioate);palladium(2+)
CID 15779435
bis(ethoxymethanedithioate);platinum-191(2+)
CID 10048477
tris(ethoxymethanedithioate);nickel(3+)
CID 135393664
copper bis(ethoxymethanedithioate)
CID 13403244
sodium;ethoxymethanedithioate;sulfuric acid
CID 174872749
CID 157091532
CID 157091532
calcium bis(propoxymethanedithioate)
CID 88779396
bis(butoxymethanedithioate);palladium(2+)
CID 141393221
nickel(2+);bis(pentoxymethanedithioate)
CID 14619578
sodium pentoxymethanedithioate
CID 23679263
ethoxymethanedithioic acid
CID 8823

Frequently Asked Questions

What is the IUPAC name of chromium(3+);tris(ethoxymethanedithioate)?
The IUPAC name of chromium(3+);tris(ethoxymethanedithioate) (CID 18626808) is chromium(3+);tris(ethoxymethanedithioate).
What is the SMILES notation for chromium(3+);tris(ethoxymethanedithioate)?
The canonical SMILES for chromium(3+);tris(ethoxymethanedithioate) is CCOC(=S)[S-].CCOC(=S)[S-].CCOC(=S)[S-].[Cr+3].
What is the InChIKey of chromium(3+);tris(ethoxymethanedithioate)?
The InChIKey is GZULTXLFAGIYLU-UHFFFAOYSA-K. The full InChI is InChI=1S/3C3H6OS2.Cr/c3*1-2-4-3(5)6;/h3*2H2,1H3,(H,5,6);/q;;;+3/p-3.
What are the key properties of chromium(3+);tris(ethoxymethanedithioate)?
chromium(3+);tris(ethoxymethanedithioate) has a molecular weight of 415.61 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);tris(ethoxymethanedithioate) is sourced from PubChem (CID 18626808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).