2-methylsulfanyl-1,2-dihydropyridine

C6H9NS — CID 22928846

IUPAC2-methylsulfanyl-1,2-dihydropyridine
SMILESCSC1C=CC=CN1
InChIInChI=1S/C6H9NS/c1-8-6-4-2-3-5-7-6/h2-7H,1H3
InChIKeyRALJVCUKPVEQFB-UHFFFAOYSA-N
MW127.21 g/mol
LogP1.35
Rot. Bonds1

About 2-methylsulfanyl-1,2-dihydropyridine

2-methylsulfanyl-1,2-dihydropyridine (PubChem CID 22928846) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 2-methylsulfanyl-1,2-dihydropyridine.

Molecular Properties

Compound Name2-methylsulfanyl-1,2-dihydropyridine
PubChem CID22928846
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name2-methylsulfanyl-1,2-dihydropyridine
SMILESCSC1C=CC=CN1
InChIInChI=1S/C6H9NS/c1-8-6-4-2-3-5-7-6/h2-7H,1H3
InChIKeyRALJVCUKPVEQFB-UHFFFAOYSA-N
XLogP1.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1,2-dihydropyridine?
The IUPAC name of 2-methylsulfanyl-1,2-dihydropyridine (CID 22928846) is 2-methylsulfanyl-1,2-dihydropyridine.
What is the SMILES notation for 2-methylsulfanyl-1,2-dihydropyridine?
The canonical SMILES for 2-methylsulfanyl-1,2-dihydropyridine is CSC1C=CC=CN1.
What is the InChIKey of 2-methylsulfanyl-1,2-dihydropyridine?
The InChIKey is RALJVCUKPVEQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-8-6-4-2-3-5-7-6/h2-7H,1H3.
What are the key properties of 2-methylsulfanyl-1,2-dihydropyridine?
2-methylsulfanyl-1,2-dihydropyridine has a molecular weight of 127.21 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1,2-dihydropyridine is sourced from PubChem (CID 22928846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).