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

C5H5F3N2OS2 — CID 21394719

IUPAC2-ethylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCCS(=O)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C5H5F3N2OS2/c1-2-13(11)4-10-9-3(12-4)5(6,7)8/h2H2,1H3
InChIKeyYSFPJAYELXYJSX-UHFFFAOYSA-N
MW230.24 g/mol
LogP1.68
Rot. Bonds2

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

2-ethylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 21394719) has the molecular formula C5H5F3N2OS2 and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-ethylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID21394719
Molecular FormulaC5H5F3N2OS2
Molecular Weight230.24 g/mol
Exact Mass229.98
IUPAC Name2-ethylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCCS(=O)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C5H5F3N2OS2/c1-2-13(11)4-10-9-3(12-4)5(6,7)8/h2H2,1H3
InChIKeyYSFPJAYELXYJSX-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 2-ethylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-ethylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 21394719) is 2-ethylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-ethylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole is CCS(=O)c1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-ethylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is YSFPJAYELXYJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2OS2/c1-2-13(11)4-10-9-3(12-4)5(6,7)8/h2H2,1H3.
What are the key properties of 2-ethylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-ethylsulfinyl-5-(trifluoromethyl)-1,3,4-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 2-ethylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 21394719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).