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

C5H3F3N2O2S2 — CID 107305285

IUPAC5-ethenylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESC=CS(=O)(=O)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H3F3N2O2S2/c1-2-14(11,12)4-9-3(10-13-4)5(6,7)8/h2H,1H2
InChIKeyJQNPXPCYEVZPBV-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.47
Rot. Bonds2

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

5-ethenylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 107305285) has the molecular formula C5H3F3N2O2S2 and a molecular weight of 244.22 g/mol. Its IUPAC name is 5-ethenylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-ethenylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID107305285
Molecular FormulaC5H3F3N2O2S2
Molecular Weight244.22 g/mol
Exact Mass243.96
IUPAC Name5-ethenylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESC=CS(=O)(=O)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H3F3N2O2S2/c1-2-14(11,12)4-9-3(10-13-4)5(6,7)8/h2H,1H2
InChIKeyJQNPXPCYEVZPBV-UHFFFAOYSA-N
XLogP1.47
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 119095948
5-Ethylsulfinyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 163588582
5-Ethylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 163871675
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanesulfonyl chloride
CID 107305846
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfonyl]ethanesulfonyl chloride
CID 107305847
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanesulfonamide
CID 107305851
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfonyl]ethanesulfonamide
CID 107305852
5-Ethenylsulfonyl-3-methyl-1,2,4-thiadiazole
CID 65273384

Frequently Asked Questions

What is the IUPAC name of 5-ethenylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-ethenylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 107305285) is 5-ethenylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-ethenylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-ethenylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole is C=CS(=O)(=O)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 5-ethenylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is JQNPXPCYEVZPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O2S2/c1-2-14(11,12)4-9-3(10-13-4)5(6,7)8/h2H,1H2.
What are the key properties of 5-ethenylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-ethenylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 244.22 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 107305285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).