bis(N,N-dimethylcarbamothioate);triphenylstibane

C24H27N2O2S2Sb-2 — CID 10393050

IUPACbis(N,N-dimethylcarbamothioate);triphenylstibane
SMILESCN(C)C(=O)[S-].CN(C)C(=O)[S-].c1ccc([Sb](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.2C3H7NOS.Sb/c3*1-2-4-6-5-3-1;2*1-4(2)3(5)6;/h3*1-5H;2*1-2H3,(H,5,6);/p-2
InChIKeyUEWLXNZABDTVBN-UHFFFAOYSA-L
MW561.39 g/mol
LogP2.63
Rot. Bonds3

About bis(N,N-dimethylcarbamothioate);triphenylstibane

bis(N,N-dimethylcarbamothioate);triphenylstibane (PubChem CID 10393050) has the molecular formula C24H27N2O2S2Sb-2 and a molecular weight of 561.39 g/mol. Its IUPAC name is bis(N,N-dimethylcarbamothioate);triphenylstibane.

Molecular Properties

Compound Namebis(N,N-dimethylcarbamothioate);triphenylstibane
PubChem CID10393050
Molecular FormulaC24H27N2O2S2Sb-2
Molecular Weight561.39 g/mol
Exact Mass560.06
IUPAC Namebis(N,N-dimethylcarbamothioate);triphenylstibane
SMILESCN(C)C(=O)[S-].CN(C)C(=O)[S-].c1ccc([Sb](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.2C3H7NOS.Sb/c3*1-2-4-6-5-3-1;2*1-4(2)3(5)6;/h3*1-5H;2*1-2H3,(H,5,6);/p-2
InChIKeyUEWLXNZABDTVBN-UHFFFAOYSA-L
XLogP2.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(N,N-dimethylcarbamothioate);triphenylstibane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylcarbamothioate);triphenylstibane?
The IUPAC name of bis(N,N-dimethylcarbamothioate);triphenylstibane (CID 10393050) is bis(N,N-dimethylcarbamothioate);triphenylstibane.
What is the SMILES notation for bis(N,N-dimethylcarbamothioate);triphenylstibane?
The canonical SMILES for bis(N,N-dimethylcarbamothioate);triphenylstibane is CN(C)C(=O)[S-].CN(C)C(=O)[S-].c1ccc([Sb](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(N,N-dimethylcarbamothioate);triphenylstibane?
The InChIKey is UEWLXNZABDTVBN-UHFFFAOYSA-L. The full InChI is InChI=1S/3C6H5.2C3H7NOS.Sb/c3*1-2-4-6-5-3-1;2*1-4(2)3(5)6;/h3*1-5H;2*1-2H3,(H,5,6);/p-2.
What are the key properties of bis(N,N-dimethylcarbamothioate);triphenylstibane?
bis(N,N-dimethylcarbamothioate);triphenylstibane has a molecular weight of 561.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethylcarbamothioate);triphenylstibane is sourced from PubChem (CID 10393050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).