3-methylsulfanyl-2,3-dihydropyridine

C6H9NS — CID 123154233

IUPAC3-methylsulfanyl-2,3-dihydropyridine
SMILESCSC1C=CC=NC1
InChIInChI=1S/C6H9NS/c1-8-6-3-2-4-7-5-6/h2-4,6H,5H2,1H3
InChIKeyLKUNNLNWFXYAOB-UHFFFAOYSA-N
MW127.21 g/mol
LogP1.36
Rot. Bonds1

About 3-methylsulfanyl-2,3-dihydropyridine

3-methylsulfanyl-2,3-dihydropyridine (PubChem CID 123154233) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 3-methylsulfanyl-2,3-dihydropyridine.

Molecular Properties

Compound Name3-methylsulfanyl-2,3-dihydropyridine
PubChem CID123154233
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name3-methylsulfanyl-2,3-dihydropyridine
SMILESCSC1C=CC=NC1
InChIInChI=1S/C6H9NS/c1-8-6-3-2-4-7-5-6/h2-4,6H,5H2,1H3
InChIKeyLKUNNLNWFXYAOB-UHFFFAOYSA-N
XLogP1.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-2,3-dihydropyridine?
The IUPAC name of 3-methylsulfanyl-2,3-dihydropyridine (CID 123154233) is 3-methylsulfanyl-2,3-dihydropyridine.
What is the SMILES notation for 3-methylsulfanyl-2,3-dihydropyridine?
The canonical SMILES for 3-methylsulfanyl-2,3-dihydropyridine is CSC1C=CC=NC1.
What is the InChIKey of 3-methylsulfanyl-2,3-dihydropyridine?
The InChIKey is LKUNNLNWFXYAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-8-6-3-2-4-7-5-6/h2-4,6H,5H2,1H3.
What are the key properties of 3-methylsulfanyl-2,3-dihydropyridine?
3-methylsulfanyl-2,3-dihydropyridine has a molecular weight of 127.21 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-2,3-dihydropyridine is sourced from PubChem (CID 123154233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).