triphenylgermyl ethanedithioate

C20H18GeS2 — CID 16691716

IUPACtriphenylgermyl ethanedithioate
SMILESCC(=S)S[Ge](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18GeS2/c1-17(22)23-21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3
InChIKeyOKKBNQMMYZLVCA-UHFFFAOYSA-N
MW395.11 g/mol
LogP3.73
Rot. Bonds4

About triphenylgermyl ethanedithioate

triphenylgermyl ethanedithioate (PubChem CID 16691716) has the molecular formula C20H18GeS2 and a molecular weight of 395.11 g/mol. Its IUPAC name is triphenylgermyl ethanedithioate.

Molecular Properties

Compound Nametriphenylgermyl ethanedithioate
PubChem CID16691716
Molecular FormulaC20H18GeS2
Molecular Weight395.11 g/mol
Exact Mass396.01
IUPAC Nametriphenylgermyl ethanedithioate
SMILESCC(=S)S[Ge](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18GeS2/c1-17(22)23-21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3
InChIKeyOKKBNQMMYZLVCA-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.11
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenylgermyl ethanedithioate?
The IUPAC name of triphenylgermyl ethanedithioate (CID 16691716) is triphenylgermyl ethanedithioate.
What is the SMILES notation for triphenylgermyl ethanedithioate?
The canonical SMILES for triphenylgermyl ethanedithioate is CC(=S)S[Ge](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenylgermyl ethanedithioate?
The InChIKey is OKKBNQMMYZLVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18GeS2/c1-17(22)23-21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3.
What are the key properties of triphenylgermyl ethanedithioate?
triphenylgermyl ethanedithioate has a molecular weight of 395.11 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylgermyl ethanedithioate is sourced from PubChem (CID 16691716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).