ethane;2-methyl-1H-pyridine-4-thione

C10H19NS — CID 142369195

IUPACethane;2-methyl-1H-pyridine-4-thione
SMILESCC.CC.Cc1cc(=S)cc[nH]1
InChIInChI=1S/C6H7NS.2C2H6/c1-5-4-6(8)2-3-7-5;2*1-2/h2-4H,1H3,(H,7,8);2*1-2H3
InChIKeyCUJBEVZJZKHKQW-UHFFFAOYSA-N
MW185.34 g/mol
LogP4.11
Rot. Bonds

About ethane;2-methyl-1H-pyridine-4-thione

ethane;2-methyl-1H-pyridine-4-thione (PubChem CID 142369195) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is ethane;2-methyl-1H-pyridine-4-thione.

Molecular Properties

Compound Nameethane;2-methyl-1H-pyridine-4-thione
PubChem CID142369195
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Nameethane;2-methyl-1H-pyridine-4-thione
SMILESCC.CC.Cc1cc(=S)cc[nH]1
InChIInChI=1S/C6H7NS.2C2H6/c1-5-4-6(8)2-3-7-5;2*1-2/h2-4H,1H3,(H,7,8);2*1-2H3
InChIKeyCUJBEVZJZKHKQW-UHFFFAOYSA-N
XLogP4.11
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;2-methyl-1H-pyridine-4-thione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1H-pyridine-4-thione?
The IUPAC name of ethane;2-methyl-1H-pyridine-4-thione (CID 142369195) is ethane;2-methyl-1H-pyridine-4-thione.
What is the SMILES notation for ethane;2-methyl-1H-pyridine-4-thione?
The canonical SMILES for ethane;2-methyl-1H-pyridine-4-thione is CC.CC.Cc1cc(=S)cc[nH]1.
What is the InChIKey of ethane;2-methyl-1H-pyridine-4-thione?
The InChIKey is CUJBEVZJZKHKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS.2C2H6/c1-5-4-6(8)2-3-7-5;2*1-2/h2-4H,1H3,(H,7,8);2*1-2H3.
What are the key properties of ethane;2-methyl-1H-pyridine-4-thione?
ethane;2-methyl-1H-pyridine-4-thione has a molecular weight of 185.34 g/mol, XLogP of 4.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1H-pyridine-4-thione is sourced from PubChem (CID 142369195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).