4,6-dimethyl-1H-pyridine-2-thione

C7H9NS — CID 15770871

IUPAC4,6-dimethyl-1H-pyridine-2-thione
SMILESCc1cc(C)[nH]c(=S)c1
InChIInChI=1S/C7H9NS/c1-5-3-6(2)8-7(9)4-5/h3-4H,1-2H3,(H,8,9)
InChIKeyZVANSRULPRVUSG-UHFFFAOYSA-N
MW139.22 g/mol
LogP2.36
Rot. Bonds

About 4,6-dimethyl-1H-pyridine-2-thione

4,6-dimethyl-1H-pyridine-2-thione (PubChem CID 15770871) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 4,6-dimethyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name4,6-dimethyl-1H-pyridine-2-thione
PubChem CID15770871
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name4,6-dimethyl-1H-pyridine-2-thione
SMILESCc1cc(C)[nH]c(=S)c1
InChIInChI=1S/C7H9NS/c1-5-3-6(2)8-7(9)4-5/h3-4H,1-2H3,(H,8,9)
InChIKeyZVANSRULPRVUSG-UHFFFAOYSA-N
XLogP2.36
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Mercapto-4,6-dimethylnicotinonitrile
CID 676510
6-Methyl-4-(trifluoromethyl)pyridine-2-thiol
CID 55265605
6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106517874
4-methyl-6-(trifluoromethyl)-1H-pyridine-2-thione
CID 139361222
6-(1,1-difluoroethyl)-4-methyl-1H-pyridine-2-thione;ethane
CID 144377770
4-(difluoromethyl)-6-methyl-1H-pyridine-2-thione
CID 175749886
3-ethyl-6-methylpyridine-2(1H)-thione
CID 5189006
4,6-Dimethyl-3-(aminomethyl)pyridine-2(1h)-thione
CID 12031211
6-(tert-Butyl)pyridine-2(1H)-thione
CID 101254864
5-Chloro-4,6-dimethyl-2(1h)-pyridinethione
CID 129798926
6-(1,1-difluoroethyl)-4-methyl-1H-pyridine-2-thione
CID 144377771
6-methyl-5-propyl-1H-pyridine-2-thione
CID 12548202

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1H-pyridine-2-thione?
The IUPAC name of 4,6-dimethyl-1H-pyridine-2-thione (CID 15770871) is 4,6-dimethyl-1H-pyridine-2-thione.
What is the SMILES notation for 4,6-dimethyl-1H-pyridine-2-thione?
The canonical SMILES for 4,6-dimethyl-1H-pyridine-2-thione is Cc1cc(C)[nH]c(=S)c1.
What is the InChIKey of 4,6-dimethyl-1H-pyridine-2-thione?
The InChIKey is ZVANSRULPRVUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-5-3-6(2)8-7(9)4-5/h3-4H,1-2H3,(H,8,9).
What are the key properties of 4,6-dimethyl-1H-pyridine-2-thione?
4,6-dimethyl-1H-pyridine-2-thione has a molecular weight of 139.22 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1H-pyridine-2-thione is sourced from PubChem (CID 15770871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).