3,6-dimethyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine

C9H15NS2 — CID 23555709

IUPAC3,6-dimethyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine
SMILESCSC1=NC(C)=CC(SC)C1C
InChIInChI=1S/C9H15NS2/c1-6-5-8(11-3)7(2)9(10-6)12-4/h5,7-8H,1-4H3
InChIKeyMMEHVQXEICIAAH-UHFFFAOYSA-N
MW201.36 g/mol
LogP3.03
Rot. Bonds1

About 3,6-dimethyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine

3,6-dimethyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine (PubChem CID 23555709) has the molecular formula C9H15NS2 and a molecular weight of 201.36 g/mol. Its IUPAC name is 3,6-dimethyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name3,6-dimethyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine
PubChem CID23555709
Molecular FormulaC9H15NS2
Molecular Weight201.36 g/mol
Exact Mass201.06
IUPAC Name3,6-dimethyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine
SMILESCSC1=NC(C)=CC(SC)C1C
InChIInChI=1S/C9H15NS2/c1-6-5-8(11-3)7(2)9(10-6)12-4/h5,7-8H,1-4H3
InChIKeyMMEHVQXEICIAAH-UHFFFAOYSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine
CID 59897658
(6R)-4-butan-2-yl-2,6-dimethyl-6H-1,3-thiazine
CID 130223762
4-ethyl-2-(3-methyl-2,3-dihydrothiophen-2-yl)-6H-1,3-thiazine
CID 155441163
2-methylsulfanyl-5-propan-2-yl-3H-pyrrole
CID 157191115

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine?
The IUPAC name of 3,6-dimethyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine (CID 23555709) is 3,6-dimethyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine.
What is the SMILES notation for 3,6-dimethyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine?
The canonical SMILES for 3,6-dimethyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine is CSC1=NC(C)=CC(SC)C1C.
What is the InChIKey of 3,6-dimethyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine?
The InChIKey is MMEHVQXEICIAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS2/c1-6-5-8(11-3)7(2)9(10-6)12-4/h5,7-8H,1-4H3.
What are the key properties of 3,6-dimethyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine?
3,6-dimethyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine has a molecular weight of 201.36 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine is sourced from PubChem (CID 23555709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).