ethane;4-methyl-2,5-dihydro-1H-pyridine-6-thione;propane

C11H23NS — CID 143335298

IUPACethane;4-methyl-2,5-dihydro-1H-pyridine-6-thione;propane
SMILESCC.CC1=CCNC(=S)C1.CCC
InChIInChI=1S/C6H9NS.C3H8.C2H6/c1-5-2-3-7-6(8)4-5;1-3-2;1-2/h2H,3-4H2,1H3,(H,7,8);3H2,1-2H3;1-2H3
InChIKeyIXJIWWFRAZHEGT-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.70
Rot. Bonds

About ethane;4-methyl-2,5-dihydro-1H-pyridine-6-thione;propane

ethane;4-methyl-2,5-dihydro-1H-pyridine-6-thione;propane (PubChem CID 143335298) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is ethane;4-methyl-2,5-dihydro-1H-pyridine-6-thione;propane.

Molecular Properties

Compound Nameethane;4-methyl-2,5-dihydro-1H-pyridine-6-thione;propane
PubChem CID143335298
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Nameethane;4-methyl-2,5-dihydro-1H-pyridine-6-thione;propane
SMILESCC.CC1=CCNC(=S)C1.CCC
InChIInChI=1S/C6H9NS.C3H8.C2H6/c1-5-2-3-7-6(8)4-5;1-3-2;1-2/h2H,3-4H2,1H3,(H,7,8);3H2,1-2H3;1-2H3
InChIKeyIXJIWWFRAZHEGT-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2,5-dihydro-1H-pyridine-6-thione;propane?
The IUPAC name of ethane;4-methyl-2,5-dihydro-1H-pyridine-6-thione;propane (CID 143335298) is ethane;4-methyl-2,5-dihydro-1H-pyridine-6-thione;propane.
What is the SMILES notation for ethane;4-methyl-2,5-dihydro-1H-pyridine-6-thione;propane?
The canonical SMILES for ethane;4-methyl-2,5-dihydro-1H-pyridine-6-thione;propane is CC.CC1=CCNC(=S)C1.CCC.
What is the InChIKey of ethane;4-methyl-2,5-dihydro-1H-pyridine-6-thione;propane?
The InChIKey is IXJIWWFRAZHEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS.C3H8.C2H6/c1-5-2-3-7-6(8)4-5;1-3-2;1-2/h2H,3-4H2,1H3,(H,7,8);3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methyl-2,5-dihydro-1H-pyridine-6-thione;propane?
ethane;4-methyl-2,5-dihydro-1H-pyridine-6-thione;propane has a molecular weight of 201.38 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2,5-dihydro-1H-pyridine-6-thione;propane is sourced from PubChem (CID 143335298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).