methyl tris(4-methylphenyl)stannylmethanedithioate

C23H24S2Sn — CID 71402814

IUPACmethyl tris(4-methylphenyl)stannylmethanedithioate
SMILESCSC(=S)[Sn](c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/3C7H7.C2H3S2.Sn/c3*1-7-5-3-2-4-6-7;1-4-2-3;/h3*3-6H,1H3;1H3;
InChIKeySMAUSCSUOHIJFN-UHFFFAOYSA-N
MW483.29 g/mol
LogP4.31
Rot. Bonds4

About methyl tris(4-methylphenyl)stannylmethanedithioate

methyl tris(4-methylphenyl)stannylmethanedithioate (PubChem CID 71402814) has the molecular formula C23H24S2Sn and a molecular weight of 483.29 g/mol. Its IUPAC name is methyl tris(4-methylphenyl)stannylmethanedithioate.

Molecular Properties

Compound Namemethyl tris(4-methylphenyl)stannylmethanedithioate
PubChem CID71402814
Molecular FormulaC23H24S2Sn
Molecular Weight483.29 g/mol
Exact Mass484.03
IUPAC Namemethyl tris(4-methylphenyl)stannylmethanedithioate
SMILESCSC(=S)[Sn](c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/3C7H7.C2H3S2.Sn/c3*1-7-5-3-2-4-6-7;1-4-2-3;/h3*3-6H,1H3;1H3;
InChIKeySMAUSCSUOHIJFN-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.29
LogP ≤ 54.31
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 methyl tris(4-methylphenyl)stannylmethanedithioate?
The IUPAC name of methyl tris(4-methylphenyl)stannylmethanedithioate (CID 71402814) is methyl tris(4-methylphenyl)stannylmethanedithioate.
What is the SMILES notation for methyl tris(4-methylphenyl)stannylmethanedithioate?
The canonical SMILES for methyl tris(4-methylphenyl)stannylmethanedithioate is CSC(=S)[Sn](c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of methyl tris(4-methylphenyl)stannylmethanedithioate?
The InChIKey is SMAUSCSUOHIJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H7.C2H3S2.Sn/c3*1-7-5-3-2-4-6-7;1-4-2-3;/h3*3-6H,1H3;1H3;.
What are the key properties of methyl tris(4-methylphenyl)stannylmethanedithioate?
methyl tris(4-methylphenyl)stannylmethanedithioate has a molecular weight of 483.29 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl tris(4-methylphenyl)stannylmethanedithioate is sourced from PubChem (CID 71402814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).