1-ethyl-2-methyl-2,3-dihydropyridine-6-thione

C8H13NS — CID 102023528

IUPAC1-ethyl-2-methyl-2,3-dihydropyridine-6-thione
SMILESCCN1C(=S)C=CCC1C
InChIInChI=1S/C8H13NS/c1-3-9-7(2)5-4-6-8(9)10/h4,6-7H,3,5H2,1-2H3
InChIKeyZONVTABOSHCBHU-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.98
Rot. Bonds1

About 1-ethyl-2-methyl-2,3-dihydropyridine-6-thione

1-ethyl-2-methyl-2,3-dihydropyridine-6-thione (PubChem CID 102023528) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 1-ethyl-2-methyl-2,3-dihydropyridine-6-thione.

Molecular Properties

Compound Name1-ethyl-2-methyl-2,3-dihydropyridine-6-thione
PubChem CID102023528
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name1-ethyl-2-methyl-2,3-dihydropyridine-6-thione
SMILESCCN1C(=S)C=CCC1C
InChIInChI=1S/C8H13NS/c1-3-9-7(2)5-4-6-8(9)10/h4,6-7H,3,5H2,1-2H3
InChIKeyZONVTABOSHCBHU-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-2,3-dihydropyridine-6-thione?
The IUPAC name of 1-ethyl-2-methyl-2,3-dihydropyridine-6-thione (CID 102023528) is 1-ethyl-2-methyl-2,3-dihydropyridine-6-thione.
What is the SMILES notation for 1-ethyl-2-methyl-2,3-dihydropyridine-6-thione?
The canonical SMILES for 1-ethyl-2-methyl-2,3-dihydropyridine-6-thione is CCN1C(=S)C=CCC1C.
What is the InChIKey of 1-ethyl-2-methyl-2,3-dihydropyridine-6-thione?
The InChIKey is ZONVTABOSHCBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-3-9-7(2)5-4-6-8(9)10/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-2,3-dihydropyridine-6-thione?
1-ethyl-2-methyl-2,3-dihydropyridine-6-thione has a molecular weight of 155.27 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-2,3-dihydropyridine-6-thione is sourced from PubChem (CID 102023528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).