4-methyl-5-(methylaminomethyl)-1H-pyridine-2-thione

C8H12N2S — CID 102545730

IUPAC4-methyl-5-(methylaminomethyl)-1H-pyridine-2-thione
SMILESCNCc1c[nH]c(=S)cc1C
InChIInChI=1S/C8H12N2S/c1-6-3-8(11)10-5-7(6)4-9-2/h3,5,9H,4H2,1-2H3,(H,10,11)
InChIKeyFUHLVEOCRRQJPR-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.77
Rot. Bonds2

About 4-methyl-5-(methylaminomethyl)-1H-pyridine-2-thione

4-methyl-5-(methylaminomethyl)-1H-pyridine-2-thione (PubChem CID 102545730) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 4-methyl-5-(methylaminomethyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name4-methyl-5-(methylaminomethyl)-1H-pyridine-2-thione
PubChem CID102545730
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name4-methyl-5-(methylaminomethyl)-1H-pyridine-2-thione
SMILESCNCc1c[nH]c(=S)cc1C
InChIInChI=1S/C8H12N2S/c1-6-3-8(11)10-5-7(6)4-9-2/h3,5,9H,4H2,1-2H3,(H,10,11)
InChIKeyFUHLVEOCRRQJPR-UHFFFAOYSA-N
XLogP1.77
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Methylpyridine-2(1H)-thione
CID 4297321
3,5-Dimethyl-1,2-dihydropyridine-2-thione
CID 18731626
2-Mercapto-4,5-dimethylpyridine
CID 20083038
3-Allyl-2-pyridinethiol
CID 67377238
butane;5-(trifluoromethyl)-1H-pyridine-2-thione
CID 90948648
5-(fluoromethyl)-4-methyl-1H-pyridine-2-thione
CID 138700753
ethane;5-(trifluoromethyl)-1H-pyridine-2-thione
CID 144623975
4,6-Dimethyl-3-(aminomethyl)pyridine-2(1h)-thione
CID 12031211
5-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 176690632
4-Ethyl-1H-pyridine-2-thione
CID 15788422
5-Propan-2-yl-1H-pyridine-2-thione
CID 18779006
3,4-diethyl-1H-pyridine-2-thione
CID 20083032

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(methylaminomethyl)-1H-pyridine-2-thione?
The IUPAC name of 4-methyl-5-(methylaminomethyl)-1H-pyridine-2-thione (CID 102545730) is 4-methyl-5-(methylaminomethyl)-1H-pyridine-2-thione.
What is the SMILES notation for 4-methyl-5-(methylaminomethyl)-1H-pyridine-2-thione?
The canonical SMILES for 4-methyl-5-(methylaminomethyl)-1H-pyridine-2-thione is CNCc1c[nH]c(=S)cc1C.
What is the InChIKey of 4-methyl-5-(methylaminomethyl)-1H-pyridine-2-thione?
The InChIKey is FUHLVEOCRRQJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-6-3-8(11)10-5-7(6)4-9-2/h3,5,9H,4H2,1-2H3,(H,10,11).
What are the key properties of 4-methyl-5-(methylaminomethyl)-1H-pyridine-2-thione?
4-methyl-5-(methylaminomethyl)-1H-pyridine-2-thione has a molecular weight of 168.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(methylaminomethyl)-1H-pyridine-2-thione is sourced from PubChem (CID 102545730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).