5-[methyl(trimethylsilyl)amino]pyridine-2-carbothioic S-acid

C10H16N2OSSi — CID 88850891

IUPAC5-[methyl(trimethylsilyl)amino]pyridine-2-carbothioic S-acid
SMILESCN(c1ccc(C(=O)S)nc1)[Si](C)(C)C
InChIInChI=1S/C10H16N2OSSi/c1-12(15(2,3)4)8-5-6-9(10(13)14)11-7-8/h5-7H,1-4H3,(H,13,14)
InChIKeyVGJITIJHPSDMMS-UHFFFAOYSA-N
MW240.40 g/mol
LogP2.42
Rot. Bonds3

About 5-[methyl(trimethylsilyl)amino]pyridine-2-carbothioic S-acid

5-[methyl(trimethylsilyl)amino]pyridine-2-carbothioic S-acid (PubChem CID 88850891) has the molecular formula C10H16N2OSSi and a molecular weight of 240.40 g/mol. Its IUPAC name is 5-[methyl(trimethylsilyl)amino]pyridine-2-carbothioic S-acid.

Molecular Properties

Compound Name5-[methyl(trimethylsilyl)amino]pyridine-2-carbothioic S-acid
PubChem CID88850891
Molecular FormulaC10H16N2OSSi
Molecular Weight240.40 g/mol
Exact Mass240.08
IUPAC Name5-[methyl(trimethylsilyl)amino]pyridine-2-carbothioic S-acid
SMILESCN(c1ccc(C(=O)S)nc1)[Si](C)(C)C
InChIInChI=1S/C10H16N2OSSi/c1-12(15(2,3)4)8-5-6-9(10(13)14)11-7-8/h5-7H,1-4H3,(H,13,14)
InChIKeyVGJITIJHPSDMMS-UHFFFAOYSA-N
XLogP2.42
TPSA33.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl(trimethylsilyl)amino]pyridine-2-carbothioic S-acid?
The IUPAC name of 5-[methyl(trimethylsilyl)amino]pyridine-2-carbothioic S-acid (CID 88850891) is 5-[methyl(trimethylsilyl)amino]pyridine-2-carbothioic S-acid.
What is the SMILES notation for 5-[methyl(trimethylsilyl)amino]pyridine-2-carbothioic S-acid?
The canonical SMILES for 5-[methyl(trimethylsilyl)amino]pyridine-2-carbothioic S-acid is CN(c1ccc(C(=O)S)nc1)[Si](C)(C)C.
What is the InChIKey of 5-[methyl(trimethylsilyl)amino]pyridine-2-carbothioic S-acid?
The InChIKey is VGJITIJHPSDMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OSSi/c1-12(15(2,3)4)8-5-6-9(10(13)14)11-7-8/h5-7H,1-4H3,(H,13,14).
What are the key properties of 5-[methyl(trimethylsilyl)amino]pyridine-2-carbothioic S-acid?
5-[methyl(trimethylsilyl)amino]pyridine-2-carbothioic S-acid has a molecular weight of 240.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(trimethylsilyl)amino]pyridine-2-carbothioic S-acid is sourced from PubChem (CID 88850891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).