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

C7H11NS — CID 57325034

IUPAC2-methyl-3-methylsulfanyl-2,5-dihydropyridine
SMILESCSC1=CCC=NC1C
InChIInChI=1S/C7H11NS/c1-6-7(9-2)4-3-5-8-6/h4-6H,3H2,1-2H3
InChIKeyKKBCUHJLURCOEZ-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.10
Rot. Bonds1

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

2-methyl-3-methylsulfanyl-2,5-dihydropyridine (PubChem CID 57325034) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-methyl-3-methylsulfanyl-2,5-dihydropyridine.

Molecular Properties

Compound Name2-methyl-3-methylsulfanyl-2,5-dihydropyridine
PubChem CID57325034
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2-methyl-3-methylsulfanyl-2,5-dihydropyridine
SMILESCSC1=CCC=NC1C
InChIInChI=1S/C7H11NS/c1-6-7(9-2)4-3-5-8-6/h4-6H,3H2,1-2H3
InChIKeyKKBCUHJLURCOEZ-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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Related Compounds

4-Methylsulfanyl-2,5-dihydropyridine
CID 57165473
2-(Methylsulfanylmethyl)-2,3-dihydropyridine
CID 70055439
2-Methyl-5-methylsulfanyl-2,3-dihydropyridine
CID 88986976
6-Methyl-3a,6-dihydrothieno[3,2-b]pyridine
CID 91042216
3a,6-Dihydrothieno[3,2-b]pyridine
CID 91369453
2,5,7-Trimethyl-2,5-dihydro-1,4-thiazepine
CID 142847826
6-Methyl-3-methylsulfanyl-3,4-dihydropyridine
CID 143707893
4,6-dimethyl-4H-1,3-thiazine
CID 155110796

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfanyl-2,5-dihydropyridine?
The IUPAC name of 2-methyl-3-methylsulfanyl-2,5-dihydropyridine (CID 57325034) is 2-methyl-3-methylsulfanyl-2,5-dihydropyridine.
What is the SMILES notation for 2-methyl-3-methylsulfanyl-2,5-dihydropyridine?
The canonical SMILES for 2-methyl-3-methylsulfanyl-2,5-dihydropyridine is CSC1=CCC=NC1C.
What is the InChIKey of 2-methyl-3-methylsulfanyl-2,5-dihydropyridine?
The InChIKey is KKBCUHJLURCOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-6-7(9-2)4-3-5-8-6/h4-6H,3H2,1-2H3.
What are the key properties of 2-methyl-3-methylsulfanyl-2,5-dihydropyridine?
2-methyl-3-methylsulfanyl-2,5-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-3-methylsulfanyl-2,5-dihydropyridine is sourced from PubChem (CID 57325034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).