5-methyl-3-(trifluoromethylsulfanyl)-1,2,4-thiadiazole

C4H3F3N2S2 — CID 118466185

IUPAC5-methyl-3-(trifluoromethylsulfanyl)-1,2,4-thiadiazole
SMILESCc1nc(SC(F)(F)F)ns1
InChIInChI=1S/C4H3F3N2S2/c1-2-8-3(9-11-2)10-4(5,6)7/h1H3
InChIKeyURKWGBBCUSMNLR-UHFFFAOYSA-N
MW200.21 g/mol
LogP2.46
Rot. Bonds1

About 5-methyl-3-(trifluoromethylsulfanyl)-1,2,4-thiadiazole

5-methyl-3-(trifluoromethylsulfanyl)-1,2,4-thiadiazole (PubChem CID 118466185) has the molecular formula C4H3F3N2S2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 5-methyl-3-(trifluoromethylsulfanyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methyl-3-(trifluoromethylsulfanyl)-1,2,4-thiadiazole
PubChem CID118466185
Molecular FormulaC4H3F3N2S2
Molecular Weight200.21 g/mol
Exact Mass199.97
IUPAC Name5-methyl-3-(trifluoromethylsulfanyl)-1,2,4-thiadiazole
SMILESCc1nc(SC(F)(F)F)ns1
InChIInChI=1S/C4H3F3N2S2/c1-2-8-3(9-11-2)10-4(5,6)7/h1H3
InChIKeyURKWGBBCUSMNLR-UHFFFAOYSA-N
XLogP2.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 20718414
3-Methyl-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 23528318
3-Fluoro-5-methyl-1,2,4-thiadiazole
CID 59049200
CID 59497977
CID 59497977
5-Methyl-3-(trifluoromethoxy)-1,2,4-thiadiazole
CID 118466186
3-Methyl-5-(trifluoromethylsulfanyl)-1,2,4-thiadiazole
CID 118466200
5-Methyl-3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]-1,2,4-thiadiazole
CID 135170698
5-Methyl-3-[2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethylsulfanyl]-1,2,4-thiadiazole
CID 135170707
Ethane;5-methyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 144394777
5-Methyl-3-(3,3,3-trifluoroprop-1-ynylsulfanyl)-1,2,4-thiadiazole
CID 158561502
5-Methyl-3-methylsulfanyl-1,2,4-thiadiazole
CID 21365791

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(trifluoromethylsulfanyl)-1,2,4-thiadiazole?
The IUPAC name of 5-methyl-3-(trifluoromethylsulfanyl)-1,2,4-thiadiazole (CID 118466185) is 5-methyl-3-(trifluoromethylsulfanyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-methyl-3-(trifluoromethylsulfanyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-methyl-3-(trifluoromethylsulfanyl)-1,2,4-thiadiazole is Cc1nc(SC(F)(F)F)ns1.
What is the InChIKey of 5-methyl-3-(trifluoromethylsulfanyl)-1,2,4-thiadiazole?
The InChIKey is URKWGBBCUSMNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2S2/c1-2-8-3(9-11-2)10-4(5,6)7/h1H3.
What are the key properties of 5-methyl-3-(trifluoromethylsulfanyl)-1,2,4-thiadiazole?
5-methyl-3-(trifluoromethylsulfanyl)-1,2,4-thiadiazole has a molecular weight of 200.21 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(trifluoromethylsulfanyl)-1,2,4-thiadiazole is sourced from PubChem (CID 118466185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).