2-methyl-5-methylsulfanyl-2,3-dihydropyridine

C7H11NS — CID 88986976

IUPAC2-methyl-5-methylsulfanyl-2,3-dihydropyridine
SMILESCSC1=CCC(C)N=C1
InChIInChI=1S/C7H11NS/c1-6-3-4-7(9-2)5-8-6/h4-6H,3H2,1-2H3
InChIKeyIKBXGJQZNKNINY-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.10
Rot. Bonds1

About 2-methyl-5-methylsulfanyl-2,3-dihydropyridine

2-methyl-5-methylsulfanyl-2,3-dihydropyridine (PubChem CID 88986976) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-methyl-5-methylsulfanyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-methyl-5-methylsulfanyl-2,3-dihydropyridine
PubChem CID88986976
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2-methyl-5-methylsulfanyl-2,3-dihydropyridine
SMILESCSC1=CCC(C)N=C1
InChIInChI=1S/C7H11NS/c1-6-3-4-7(9-2)5-8-6/h4-6H,3H2,1-2H3
InChIKeyIKBXGJQZNKNINY-UHFFFAOYSA-N
XLogP2.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfanyl-2,3-dihydropyridine?
The IUPAC name of 2-methyl-5-methylsulfanyl-2,3-dihydropyridine (CID 88986976) is 2-methyl-5-methylsulfanyl-2,3-dihydropyridine.
What is the SMILES notation for 2-methyl-5-methylsulfanyl-2,3-dihydropyridine?
The canonical SMILES for 2-methyl-5-methylsulfanyl-2,3-dihydropyridine is CSC1=CCC(C)N=C1.
What is the InChIKey of 2-methyl-5-methylsulfanyl-2,3-dihydropyridine?
The InChIKey is IKBXGJQZNKNINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-6-3-4-7(9-2)5-8-6/h4-6H,3H2,1-2H3.
What are the key properties of 2-methyl-5-methylsulfanyl-2,3-dihydropyridine?
2-methyl-5-methylsulfanyl-2,3-dihydropyridine has a molecular weight of 141.24 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfanyl-2,3-dihydropyridine is sourced from PubChem (CID 88986976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).