1,3-dimethyl-6-(trifluoromethyl)pyridine-2-thione

C8H8F3NS — CID 58520624

IUPAC1,3-dimethyl-6-(trifluoromethyl)pyridine-2-thione
SMILESCc1ccc(C(F)(F)F)n(C)c1=S
InChIInChI=1S/C8H8F3NS/c1-5-3-4-6(8(9,10)11)12(2)7(5)13/h3-4H,1-2H3
InChIKeyRPWSIKDQTFUFIZ-UHFFFAOYSA-N
MW207.22 g/mol
LogP3.08
Rot. Bonds

About 1,3-dimethyl-6-(trifluoromethyl)pyridine-2-thione

1,3-dimethyl-6-(trifluoromethyl)pyridine-2-thione (PubChem CID 58520624) has the molecular formula C8H8F3NS and a molecular weight of 207.22 g/mol. Its IUPAC name is 1,3-dimethyl-6-(trifluoromethyl)pyridine-2-thione.

Molecular Properties

Compound Name1,3-dimethyl-6-(trifluoromethyl)pyridine-2-thione
PubChem CID58520624
Molecular FormulaC8H8F3NS
Molecular Weight207.22 g/mol
Exact Mass207.03
IUPAC Name1,3-dimethyl-6-(trifluoromethyl)pyridine-2-thione
SMILESCc1ccc(C(F)(F)F)n(C)c1=S
InChIInChI=1S/C8H8F3NS/c1-5-3-4-6(8(9,10)11)12(2)7(5)13/h3-4H,1-2H3
InChIKeyRPWSIKDQTFUFIZ-UHFFFAOYSA-N
XLogP3.08
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(trifluoromethyl)pyridine-2-thione?
The IUPAC name of 1,3-dimethyl-6-(trifluoromethyl)pyridine-2-thione (CID 58520624) is 1,3-dimethyl-6-(trifluoromethyl)pyridine-2-thione.
What is the SMILES notation for 1,3-dimethyl-6-(trifluoromethyl)pyridine-2-thione?
The canonical SMILES for 1,3-dimethyl-6-(trifluoromethyl)pyridine-2-thione is Cc1ccc(C(F)(F)F)n(C)c1=S.
What is the InChIKey of 1,3-dimethyl-6-(trifluoromethyl)pyridine-2-thione?
The InChIKey is RPWSIKDQTFUFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NS/c1-5-3-4-6(8(9,10)11)12(2)7(5)13/h3-4H,1-2H3.
What are the key properties of 1,3-dimethyl-6-(trifluoromethyl)pyridine-2-thione?
1,3-dimethyl-6-(trifluoromethyl)pyridine-2-thione has a molecular weight of 207.22 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(trifluoromethyl)pyridine-2-thione is sourced from PubChem (CID 58520624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).