3-methylsulfanyl-5-(trifluoromethyl)pyridine

C7H6F3NS — CID 123232376

IUPAC3-methylsulfanyl-5-(trifluoromethyl)pyridine
SMILESCSc1cncc(C(F)(F)F)c1
InChIInChI=1S/C7H6F3NS/c1-12-6-2-5(3-11-4-6)7(8,9)10/h2-4H,1H3
InChIKeyKEKBIQQWVSAUOY-UHFFFAOYSA-N
MW193.19 g/mol
LogP2.82
Rot. Bonds1

About 3-methylsulfanyl-5-(trifluoromethyl)pyridine

3-methylsulfanyl-5-(trifluoromethyl)pyridine (PubChem CID 123232376) has the molecular formula C7H6F3NS and a molecular weight of 193.19 g/mol. Its IUPAC name is 3-methylsulfanyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-methylsulfanyl-5-(trifluoromethyl)pyridine
PubChem CID123232376
Molecular FormulaC7H6F3NS
Molecular Weight193.19 g/mol
Exact Mass193.02
IUPAC Name3-methylsulfanyl-5-(trifluoromethyl)pyridine
SMILESCSc1cncc(C(F)(F)F)c1
InChIInChI=1S/C7H6F3NS/c1-12-6-2-5(3-11-4-6)7(8,9)10/h2-4H,1H3
InChIKeyKEKBIQQWVSAUOY-UHFFFAOYSA-N
XLogP2.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylbutan-2-yl)-5-methylsulfanylpyridine
CID 130337383
3-methyl-5-(trifluoromethyl)pyridine
CID 143745835
5-(trifluoromethyl)pyridine-3-thiolate
CID 165348790
CID 123329918
CID 123329918
5-(trifluoromethyl)pyrimidine
CID 15273573
ethane;3-methoxy-5-(trifluoromethyl)pyridine
CID 176999703
(5-methylsulfanyl-3-pyridinyl)boronic acid;hydrochloride
CID 53398531
[5-(trifluoromethyl)-3-pyridinyl]boronic acid;hydrochloride
CID 67218913
3,5-bis(trifluoromethylsulfanyl)pyridine
CID 13183076
3-(3-methylphenyl)-5-(trifluoromethyl)pyridine
CID 59578611
1-methyl-1-[5-(trifluoromethyl)-3-pyridinyl]thiourea
CID 174270085
3-methylsulfanyl-5-propan-2-yloxypyridine
CID 146035348

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-methylsulfanyl-5-(trifluoromethyl)pyridine (CID 123232376) is 3-methylsulfanyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-methylsulfanyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-methylsulfanyl-5-(trifluoromethyl)pyridine is CSc1cncc(C(F)(F)F)c1.
What is the InChIKey of 3-methylsulfanyl-5-(trifluoromethyl)pyridine?
The InChIKey is KEKBIQQWVSAUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NS/c1-12-6-2-5(3-11-4-6)7(8,9)10/h2-4H,1H3.
What are the key properties of 3-methylsulfanyl-5-(trifluoromethyl)pyridine?
3-methylsulfanyl-5-(trifluoromethyl)pyridine has a molecular weight of 193.19 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 123232376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).