5-ethylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole

C5H5F3N2OS2 — CID 163588582

IUPAC5-ethylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCCS(=O)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H5F3N2OS2/c1-2-13(11)4-9-3(10-12-4)5(6,7)8/h2H2,1H3
InChIKeyGNPFWTDNUYJDJW-UHFFFAOYSA-N
MW230.24 g/mol
LogP1.68
Rot. Bonds2

About 5-ethylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole

5-ethylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 163588582) has the molecular formula C5H5F3N2OS2 and a molecular weight of 230.24 g/mol. Its IUPAC name is 5-ethylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-ethylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID163588582
Molecular FormulaC5H5F3N2OS2
Molecular Weight230.24 g/mol
Exact Mass229.98
IUPAC Name5-ethylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCCS(=O)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H5F3N2OS2/c1-2-13(11)4-9-3(10-12-4)5(6,7)8/h2H2,1H3
InChIKeyGNPFWTDNUYJDJW-UHFFFAOYSA-N
XLogP1.68
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-ethylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 163588582) is 5-ethylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-ethylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-ethylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole is CCS(=O)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 5-ethylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is GNPFWTDNUYJDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2OS2/c1-2-13(11)4-9-3(10-12-4)5(6,7)8/h2H2,1H3.
What are the key properties of 5-ethylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-ethylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 230.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 163588582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).