6-methyl-2-methylsulfanyl-2,3-dihydropyridine

C7H11NS — CID 163749334

IUPAC6-methyl-2-methylsulfanyl-2,3-dihydropyridine
SMILESCSC1CC=CC(C)=N1
InChIInChI=1S/C7H11NS/c1-6-4-3-5-7(8-6)9-2/h3-4,7H,5H2,1-2H3
InChIKeyLOQMVUBOTCCIQY-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.10
Rot. Bonds1

About 6-methyl-2-methylsulfanyl-2,3-dihydropyridine

6-methyl-2-methylsulfanyl-2,3-dihydropyridine (PubChem CID 163749334) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 6-methyl-2-methylsulfanyl-2,3-dihydropyridine.

Molecular Properties

Compound Name6-methyl-2-methylsulfanyl-2,3-dihydropyridine
PubChem CID163749334
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name6-methyl-2-methylsulfanyl-2,3-dihydropyridine
SMILESCSC1CC=CC(C)=N1
InChIInChI=1S/C7H11NS/c1-6-4-3-5-7(8-6)9-2/h3-4,7H,5H2,1-2H3
InChIKeyLOQMVUBOTCCIQY-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

2-Methylthiopyridinylidenammoniumjodide
CID 129646503
5,7-Dimethyl-2,3-dihydro-1,4-thiazepine
CID 20761822
2-Methylsulfanyl-2,3-dihydropyridine
CID 53805724
2-(Methylsulfanylmethyl)-2,3-dihydropyridine
CID 70055439
6-(3-Methylsulfanylpropyl)-2,3-dihydropyridine
CID 89244056
3-Methylsulfanyl-2,3-dihydropyridine
CID 123154233
(2E)-2-butylidene-3-methyl-1,4-thiazine
CID 123512371
(E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine
CID 139378591
2,4-dimethyl-2H-1,3-thiazine
CID 141035957
2-Ethylsulfanyl-2,3-dihydropyridine
CID 143495654
ethane;(2E)-N-ethyl-2-ethylidenethiophen-3-imine
CID 144296091
3-Methyl-2-methylsulfanyl-2,3-dihydropyridine
CID 153684672

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfanyl-2,3-dihydropyridine?
The IUPAC name of 6-methyl-2-methylsulfanyl-2,3-dihydropyridine (CID 163749334) is 6-methyl-2-methylsulfanyl-2,3-dihydropyridine.
What is the SMILES notation for 6-methyl-2-methylsulfanyl-2,3-dihydropyridine?
The canonical SMILES for 6-methyl-2-methylsulfanyl-2,3-dihydropyridine is CSC1CC=CC(C)=N1.
What is the InChIKey of 6-methyl-2-methylsulfanyl-2,3-dihydropyridine?
The InChIKey is LOQMVUBOTCCIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-6-4-3-5-7(8-6)9-2/h3-4,7H,5H2,1-2H3.
What are the key properties of 6-methyl-2-methylsulfanyl-2,3-dihydropyridine?
6-methyl-2-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 6-methyl-2-methylsulfanyl-2,3-dihydropyridine is sourced from PubChem (CID 163749334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).