N-(4-methylsulfanylphenyl)pyridine-2-carbothioamide

C13H12N2S2 — CID 14510213

IUPACN-(4-methylsulfanylphenyl)pyridine-2-carbothioamide
SMILESCSc1ccc(NC(=S)c2ccccn2)cc1
InChIInChI=1S/C13H12N2S2/c1-17-11-7-5-10(6-8-11)15-13(16)12-4-2-3-9-14-12/h2-9H,1H3,(H,15,16)
InChIKeyYZBYHDJTNKYFNP-UHFFFAOYSA-N
MW260.39 g/mol
LogP3.59
Rot. Bonds3

About N-(4-methylsulfanylphenyl)pyridine-2-carbothioamide

N-(4-methylsulfanylphenyl)pyridine-2-carbothioamide (PubChem CID 14510213) has the molecular formula C13H12N2S2 and a molecular weight of 260.39 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)pyridine-2-carbothioamide.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)pyridine-2-carbothioamide
PubChem CID14510213
Molecular FormulaC13H12N2S2
Molecular Weight260.39 g/mol
Exact Mass260.04
IUPAC NameN-(4-methylsulfanylphenyl)pyridine-2-carbothioamide
SMILESCSc1ccc(NC(=S)c2ccccn2)cc1
InChIInChI=1S/C13H12N2S2/c1-17-11-7-5-10(6-8-11)15-13(16)12-4-2-3-9-14-12/h2-9H,1H3,(H,15,16)
InChIKeyYZBYHDJTNKYFNP-UHFFFAOYSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(pyridine-2-carbothioylamino)phenyl]pyridine-2-carbothioamide
CID 15592021
N-(4-fluorophenyl)pyridine-2-carbothioamide
CID 14510216
N-(4-methylsulfinylphenyl)pyridine-2-carbothioamide
CID 14510237
N-(4-chloro-3-sulfanylphenyl)pyridine-2-carbothioamide
CID 154643122
N-[3-[dideuterio(fluoro)methyl]sulfanyl-4-fluorophenyl]pyridine-2-carbothioamide
CID 164738405
N'-(4-methylsulfanylphenyl)pyridine-2-carboximidamide
CID 59700907
(4-methylsulfanylphenyl)carbamodithioic acid
CID 134086802
2-[(Z)-3-methylsulfanylbut-2-en-2-yl]pyridine
CID 138698703
N-(2,4-dimethylphenyl)pyridine-2-carbothioamide
CID 802201
N-[4-chloro-3-[dideuterio(fluoro)methyl]sulfanylphenyl]pyridine-2-carbothioamide
CID 164738417
1-pyridin-2-ylethanethione
CID 89010255
N-(2-bromo-4-methylphenyl)pyridine-2-carbothioamide
CID 802864

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)pyridine-2-carbothioamide?
The IUPAC name of N-(4-methylsulfanylphenyl)pyridine-2-carbothioamide (CID 14510213) is N-(4-methylsulfanylphenyl)pyridine-2-carbothioamide.
What is the SMILES notation for N-(4-methylsulfanylphenyl)pyridine-2-carbothioamide?
The canonical SMILES for N-(4-methylsulfanylphenyl)pyridine-2-carbothioamide is CSc1ccc(NC(=S)c2ccccn2)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)pyridine-2-carbothioamide?
The InChIKey is YZBYHDJTNKYFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S2/c1-17-11-7-5-10(6-8-11)15-13(16)12-4-2-3-9-14-12/h2-9H,1H3,(H,15,16).
What are the key properties of N-(4-methylsulfanylphenyl)pyridine-2-carbothioamide?
N-(4-methylsulfanylphenyl)pyridine-2-carbothioamide has a molecular weight of 260.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)pyridine-2-carbothioamide is sourced from PubChem (CID 14510213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).