ethane;methanol;4-methyl-2-methylsulfanylpyridine

C10H19NOS — CID 178057256

IUPACethane;methanol;4-methyl-2-methylsulfanylpyridine
SMILESCC.CO.CSc1cc(C)ccn1
InChIInChI=1S/C7H9NS.C2H6.CH4O/c1-6-3-4-8-7(5-6)9-2;2*1-2/h3-5H,1-2H3;1-2H3;2H,1H3
InChIKeyMCZZPQCXIBXDLB-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.75
Rot. Bonds1

About ethane;methanol;4-methyl-2-methylsulfanylpyridine

ethane;methanol;4-methyl-2-methylsulfanylpyridine (PubChem CID 178057256) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is ethane;methanol;4-methyl-2-methylsulfanylpyridine.

Molecular Properties

Compound Nameethane;methanol;4-methyl-2-methylsulfanylpyridine
PubChem CID178057256
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Nameethane;methanol;4-methyl-2-methylsulfanylpyridine
SMILESCC.CO.CSc1cc(C)ccn1
InChIInChI=1S/C7H9NS.C2H6.CH4O/c1-6-3-4-8-7(5-6)9-2;2*1-2/h3-5H,1-2H3;1-2H3;2H,1H3
InChIKeyMCZZPQCXIBXDLB-UHFFFAOYSA-N
XLogP2.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;methanol;4-methyl-2-methylsulfanylpyridine 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;methanol;4-methyl-2-methylsulfanylpyridine?
The IUPAC name of ethane;methanol;4-methyl-2-methylsulfanylpyridine (CID 178057256) is ethane;methanol;4-methyl-2-methylsulfanylpyridine.
What is the SMILES notation for ethane;methanol;4-methyl-2-methylsulfanylpyridine?
The canonical SMILES for ethane;methanol;4-methyl-2-methylsulfanylpyridine is CC.CO.CSc1cc(C)ccn1.
What is the InChIKey of ethane;methanol;4-methyl-2-methylsulfanylpyridine?
The InChIKey is MCZZPQCXIBXDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS.C2H6.CH4O/c1-6-3-4-8-7(5-6)9-2;2*1-2/h3-5H,1-2H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;4-methyl-2-methylsulfanylpyridine?
ethane;methanol;4-methyl-2-methylsulfanylpyridine has a molecular weight of 201.33 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;4-methyl-2-methylsulfanylpyridine is sourced from PubChem (CID 178057256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).