1,4-dimethyl-2,3-dihydropyridine-6-thione

C7H11NS — CID 171816859

IUPAC1,4-dimethyl-2,3-dihydropyridine-6-thione
SMILESCC1=CC(=S)N(C)CC1
InChIInChI=1S/C7H11NS/c1-6-3-4-8(2)7(9)5-6/h5H,3-4H2,1-2H3
InChIKeyTZLYEIDTFANUOW-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.60
Rot. Bonds

About 1,4-dimethyl-2,3-dihydropyridine-6-thione

1,4-dimethyl-2,3-dihydropyridine-6-thione (PubChem CID 171816859) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 1,4-dimethyl-2,3-dihydropyridine-6-thione.

Molecular Properties

Compound Name1,4-dimethyl-2,3-dihydropyridine-6-thione
PubChem CID171816859
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name1,4-dimethyl-2,3-dihydropyridine-6-thione
SMILESCC1=CC(=S)N(C)CC1
InChIInChI=1S/C7H11NS/c1-6-3-4-8(2)7(9)5-6/h5H,3-4H2,1-2H3
InChIKeyTZLYEIDTFANUOW-UHFFFAOYSA-N
XLogP1.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.60
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 1,4-dimethyl-2,3-dihydropyridine-6-thione?
The IUPAC name of 1,4-dimethyl-2,3-dihydropyridine-6-thione (CID 171816859) is 1,4-dimethyl-2,3-dihydropyridine-6-thione.
What is the SMILES notation for 1,4-dimethyl-2,3-dihydropyridine-6-thione?
The canonical SMILES for 1,4-dimethyl-2,3-dihydropyridine-6-thione is CC1=CC(=S)N(C)CC1.
What is the InChIKey of 1,4-dimethyl-2,3-dihydropyridine-6-thione?
The InChIKey is TZLYEIDTFANUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-6-3-4-8(2)7(9)5-6/h5H,3-4H2,1-2H3.
What are the key properties of 1,4-dimethyl-2,3-dihydropyridine-6-thione?
1,4-dimethyl-2,3-dihydropyridine-6-thione has a molecular weight of 141.24 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2,3-dihydropyridine-6-thione is sourced from PubChem (CID 171816859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).