ethane;5-methyl-1H-pyridine-2-thione

C8H13NS — CID 143482038

IUPACethane;5-methyl-1H-pyridine-2-thione
SMILESCC.Cc1ccc(=S)[nH]c1
InChIInChI=1S/C6H7NS.C2H6/c1-5-2-3-6(8)7-4-5;1-2/h2-4H,1H3,(H,7,8);1-2H3
InChIKeyCLLSYOGOJNVWDL-UHFFFAOYSA-N
MW155.27 g/mol
LogP3.08
Rot. Bonds

About ethane;5-methyl-1H-pyridine-2-thione

ethane;5-methyl-1H-pyridine-2-thione (PubChem CID 143482038) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is ethane;5-methyl-1H-pyridine-2-thione.

Molecular Properties

Compound Nameethane;5-methyl-1H-pyridine-2-thione
PubChem CID143482038
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Nameethane;5-methyl-1H-pyridine-2-thione
SMILESCC.Cc1ccc(=S)[nH]c1
InChIInChI=1S/C6H7NS.C2H6/c1-5-2-3-6(8)7-4-5;1-2/h2-4H,1H3,(H,7,8);1-2H3
InChIKeyCLLSYOGOJNVWDL-UHFFFAOYSA-N
XLogP3.08
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;5-methyl-1H-pyridine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-2(1H)-pyridinethione
CID 3681029
2(1H)-Pyridinethione, 5-(trifluoromethyl)-
CID 2775246
5-Methylpyridine-2(1H)-thione
CID 4297321
3,5-Dimethyl-1,2-dihydropyridine-2-thione
CID 18731626
Isoquinoline-3(2H)-thione
CID 14382479
Dimethylpyridinethione
CID 20083036
2-Mercapto-4,5-dimethylpyridine
CID 20083038
3-Allyl-2-pyridinethiol
CID 67377238
5-(fluoromethyl)-1H-pyridine-2-thione
CID 66660004
5-(difluoromethyl)-1H-pyridine-2-thione
CID 83854589
butane;5-(trifluoromethyl)-1H-pyridine-2-thione
CID 90948648
5-(fluoromethyl)-4-methyl-1H-pyridine-2-thione
CID 138700753

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1H-pyridine-2-thione?
The IUPAC name of ethane;5-methyl-1H-pyridine-2-thione (CID 143482038) is ethane;5-methyl-1H-pyridine-2-thione.
What is the SMILES notation for ethane;5-methyl-1H-pyridine-2-thione?
The canonical SMILES for ethane;5-methyl-1H-pyridine-2-thione is CC.Cc1ccc(=S)[nH]c1.
What is the InChIKey of ethane;5-methyl-1H-pyridine-2-thione?
The InChIKey is CLLSYOGOJNVWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS.C2H6/c1-5-2-3-6(8)7-4-5;1-2/h2-4H,1H3,(H,7,8);1-2H3.
What are the key properties of ethane;5-methyl-1H-pyridine-2-thione?
ethane;5-methyl-1H-pyridine-2-thione has a molecular weight of 155.27 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1H-pyridine-2-thione is sourced from PubChem (CID 143482038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).