5-amino-3-methyl-1H-pyridine-2-thione

C6H8N2S — CID 62476746

IUPAC5-amino-3-methyl-1H-pyridine-2-thione
SMILESCc1cc(N)c[nH]c1=S
InChIInChI=1S/C6H8N2S/c1-4-2-5(7)3-8-6(4)9/h2-3H,7H2,1H3,(H,8,9)
InChIKeyYPIICAVCVHTRPU-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.63
Rot. Bonds

About 5-amino-3-methyl-1H-pyridine-2-thione

5-amino-3-methyl-1H-pyridine-2-thione (PubChem CID 62476746) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 5-amino-3-methyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-amino-3-methyl-1H-pyridine-2-thione
PubChem CID62476746
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name5-amino-3-methyl-1H-pyridine-2-thione
SMILESCc1cc(N)c[nH]c1=S
InChIInChI=1S/C6H8N2S/c1-4-2-5(7)3-8-6(4)9/h2-3H,7H2,1H3,(H,8,9)
InChIKeyYPIICAVCVHTRPU-UHFFFAOYSA-N
XLogP1.63
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.63
H-Bond Donors ≤ 52
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 5-amino-3-methyl-1H-pyridine-2-thione?
The IUPAC name of 5-amino-3-methyl-1H-pyridine-2-thione (CID 62476746) is 5-amino-3-methyl-1H-pyridine-2-thione.
What is the SMILES notation for 5-amino-3-methyl-1H-pyridine-2-thione?
The canonical SMILES for 5-amino-3-methyl-1H-pyridine-2-thione is Cc1cc(N)c[nH]c1=S.
What is the InChIKey of 5-amino-3-methyl-1H-pyridine-2-thione?
The InChIKey is YPIICAVCVHTRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-4-2-5(7)3-8-6(4)9/h2-3H,7H2,1H3,(H,8,9).
What are the key properties of 5-amino-3-methyl-1H-pyridine-2-thione?
5-amino-3-methyl-1H-pyridine-2-thione has a molecular weight of 140.21 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-1H-pyridine-2-thione is sourced from PubChem (CID 62476746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).