2-methylsulfanyl-5-(trifluoromethyl)-1,2-dihydropyridine

C7H8F3NS — CID 129028527

IUPAC2-methylsulfanyl-5-(trifluoromethyl)-1,2-dihydropyridine
SMILESCSC1C=CC(C(F)(F)F)=CN1
InChIInChI=1S/C7H8F3NS/c1-12-6-3-2-5(4-11-6)7(8,9)10/h2-4,6,11H,1H3
InChIKeyJSCJLGJLOZBBIK-UHFFFAOYSA-N
MW195.21 g/mol
LogP2.28
Rot. Bonds1

About 2-methylsulfanyl-5-(trifluoromethyl)-1,2-dihydropyridine

2-methylsulfanyl-5-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 129028527) has the molecular formula C7H8F3NS and a molecular weight of 195.21 g/mol. Its IUPAC name is 2-methylsulfanyl-5-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-methylsulfanyl-5-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID129028527
Molecular FormulaC7H8F3NS
Molecular Weight195.21 g/mol
Exact Mass195.03
IUPAC Name2-methylsulfanyl-5-(trifluoromethyl)-1,2-dihydropyridine
SMILESCSC1C=CC(C(F)(F)F)=CN1
InChIInChI=1S/C7H8F3NS/c1-12-6-3-2-5(4-11-6)7(8,9)10/h2-4,6,11H,1H3
InChIKeyJSCJLGJLOZBBIK-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 2-methylsulfanyl-5-(trifluoromethyl)-1,2-dihydropyridine (CID 129028527) is 2-methylsulfanyl-5-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 2-methylsulfanyl-5-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 2-methylsulfanyl-5-(trifluoromethyl)-1,2-dihydropyridine is CSC1C=CC(C(F)(F)F)=CN1.
What is the InChIKey of 2-methylsulfanyl-5-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is JSCJLGJLOZBBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NS/c1-12-6-3-2-5(4-11-6)7(8,9)10/h2-4,6,11H,1H3.
What are the key properties of 2-methylsulfanyl-5-(trifluoromethyl)-1,2-dihydropyridine?
2-methylsulfanyl-5-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 195.21 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 129028527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).