2,6-dimethyl-1,2-dihydropyridine-4-thiol

C7H11NS — CID 126728250

IUPAC2,6-dimethyl-1,2-dihydropyridine-4-thiol
SMILESCC1=CC(S)=CC(C)N1
InChIInChI=1S/C7H11NS/c1-5-3-7(9)4-6(2)8-5/h3-5,8-9H,1-2H3
InChIKeyPFJDPLXYEBPGAH-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.70
Rot. Bonds

About 2,6-dimethyl-1,2-dihydropyridine-4-thiol

2,6-dimethyl-1,2-dihydropyridine-4-thiol (PubChem CID 126728250) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2,6-dimethyl-1,2-dihydropyridine-4-thiol.

Molecular Properties

Compound Name2,6-dimethyl-1,2-dihydropyridine-4-thiol
PubChem CID126728250
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2,6-dimethyl-1,2-dihydropyridine-4-thiol
SMILESCC1=CC(S)=CC(C)N1
InChIInChI=1S/C7H11NS/c1-5-3-7(9)4-6(2)8-5/h3-5,8-9H,1-2H3
InChIKeyPFJDPLXYEBPGAH-UHFFFAOYSA-N
XLogP1.70
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,2-dihydropyridine-4-thiol?
The IUPAC name of 2,6-dimethyl-1,2-dihydropyridine-4-thiol (CID 126728250) is 2,6-dimethyl-1,2-dihydropyridine-4-thiol.
What is the SMILES notation for 2,6-dimethyl-1,2-dihydropyridine-4-thiol?
The canonical SMILES for 2,6-dimethyl-1,2-dihydropyridine-4-thiol is CC1=CC(S)=CC(C)N1.
What is the InChIKey of 2,6-dimethyl-1,2-dihydropyridine-4-thiol?
The InChIKey is PFJDPLXYEBPGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-5-3-7(9)4-6(2)8-5/h3-5,8-9H,1-2H3.
What are the key properties of 2,6-dimethyl-1,2-dihydropyridine-4-thiol?
2,6-dimethyl-1,2-dihydropyridine-4-thiol has a molecular weight of 141.24 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,2-dihydropyridine-4-thiol is sourced from PubChem (CID 126728250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).