1-methylpyridine-2-thione

C6H7NS — CID 16277

IUPAC1-methylpyridine-2-thione
SMILESCn1ccccc1=S
InChIInChI=1S/C6H7NS/c1-7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKeyUHOAUPKGWPQNDM-UHFFFAOYSA-N
MW125.20 g/mol
LogP1.75
Rot. Bonds

About 1-methylpyridine-2-thione

1-methylpyridine-2-thione (PubChem CID 16277) has the molecular formula C6H7NS and a molecular weight of 125.20 g/mol. Its IUPAC name is 1-methylpyridine-2-thione.

Molecular Properties

Compound Name1-methylpyridine-2-thione
PubChem CID16277
Molecular FormulaC6H7NS
Molecular Weight125.20 g/mol
Exact Mass125.03
IUPAC Name1-methylpyridine-2-thione
SMILESCn1ccccc1=S
InChIInChI=1S/C6H7NS/c1-7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKeyUHOAUPKGWPQNDM-UHFFFAOYSA-N
XLogP1.75
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.20
LogP ≤ 51.75
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 1-methylpyridine-2-thione?
The IUPAC name of 1-methylpyridine-2-thione (CID 16277) is 1-methylpyridine-2-thione.
What is the SMILES notation for 1-methylpyridine-2-thione?
The canonical SMILES for 1-methylpyridine-2-thione is Cn1ccccc1=S.
What is the InChIKey of 1-methylpyridine-2-thione?
The InChIKey is UHOAUPKGWPQNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS/c1-7-5-3-2-4-6(7)8/h2-5H,1H3.
What are the key properties of 1-methylpyridine-2-thione?
1-methylpyridine-2-thione has a molecular weight of 125.20 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyridine-2-thione is sourced from PubChem (CID 16277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).