5-chloro-3-[[4-(trifluoromethyl)phenyl]methylsulfinyl]-1,2,4-thiadiazole

C10H6ClF3N2OS2 — CID 18943312

IUPAC5-chloro-3-[[4-(trifluoromethyl)phenyl]methylsulfinyl]-1,2,4-thiadiazole
SMILESO=S(Cc1ccc(C(F)(F)F)cc1)c1nsc(Cl)n1
InChIInChI=1S/C10H6ClF3N2OS2/c11-8-15-9(16-18-8)19(17)5-6-1-3-7(4-2-6)10(12,13)14/h1-4H,5H2
InChIKeyCGOAACYDXNLVOI-UHFFFAOYSA-N
MW326.75 g/mol
LogP3.52
Rot. Bonds3

About 5-chloro-3-[[4-(trifluoromethyl)phenyl]methylsulfinyl]-1,2,4-thiadiazole

5-chloro-3-[[4-(trifluoromethyl)phenyl]methylsulfinyl]-1,2,4-thiadiazole (PubChem CID 18943312) has the molecular formula C10H6ClF3N2OS2 and a molecular weight of 326.75 g/mol. Its IUPAC name is 5-chloro-3-[[4-(trifluoromethyl)phenyl]methylsulfinyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-[[4-(trifluoromethyl)phenyl]methylsulfinyl]-1,2,4-thiadiazole
PubChem CID18943312
Molecular FormulaC10H6ClF3N2OS2
Molecular Weight326.75 g/mol
Exact Mass325.96
IUPAC Name5-chloro-3-[[4-(trifluoromethyl)phenyl]methylsulfinyl]-1,2,4-thiadiazole
SMILESO=S(Cc1ccc(C(F)(F)F)cc1)c1nsc(Cl)n1
InChIInChI=1S/C10H6ClF3N2OS2/c11-8-15-9(16-18-8)19(17)5-6-1-3-7(4-2-6)10(12,13)14/h1-4H,5H2
InChIKeyCGOAACYDXNLVOI-UHFFFAOYSA-N
XLogP3.52
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.75
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[4-(trifluoromethyl)phenyl]methylsulfinyl]-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-[[4-(trifluoromethyl)phenyl]methylsulfinyl]-1,2,4-thiadiazole (CID 18943312) is 5-chloro-3-[[4-(trifluoromethyl)phenyl]methylsulfinyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-[[4-(trifluoromethyl)phenyl]methylsulfinyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-[[4-(trifluoromethyl)phenyl]methylsulfinyl]-1,2,4-thiadiazole is O=S(Cc1ccc(C(F)(F)F)cc1)c1nsc(Cl)n1.
What is the InChIKey of 5-chloro-3-[[4-(trifluoromethyl)phenyl]methylsulfinyl]-1,2,4-thiadiazole?
The InChIKey is CGOAACYDXNLVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2OS2/c11-8-15-9(16-18-8)19(17)5-6-1-3-7(4-2-6)10(12,13)14/h1-4H,5H2.
What are the key properties of 5-chloro-3-[[4-(trifluoromethyl)phenyl]methylsulfinyl]-1,2,4-thiadiazole?
5-chloro-3-[[4-(trifluoromethyl)phenyl]methylsulfinyl]-1,2,4-thiadiazole has a molecular weight of 326.75 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[4-(trifluoromethyl)phenyl]methylsulfinyl]-1,2,4-thiadiazole is sourced from PubChem (CID 18943312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).