2-[[4-(trifluoromethyl)phenyl]disulfanyl]-1,3-thiazole

C10H6F3NS3 — CID 150068336

IUPAC2-[[4-(trifluoromethyl)phenyl]disulfanyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(SSc2nccs2)cc1
InChIInChI=1S/C10H6F3NS3/c11-10(12,13)7-1-3-8(4-2-7)16-17-9-14-5-6-15-9/h1-6H
InChIKeyDOTFSDHCBOMEAB-UHFFFAOYSA-N
MW293.36 g/mol
LogP4.96
Rot. Bonds3

About 2-[[4-(trifluoromethyl)phenyl]disulfanyl]-1,3-thiazole

2-[[4-(trifluoromethyl)phenyl]disulfanyl]-1,3-thiazole (PubChem CID 150068336) has the molecular formula C10H6F3NS3 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]disulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]disulfanyl]-1,3-thiazole
PubChem CID150068336
Molecular FormulaC10H6F3NS3
Molecular Weight293.36 g/mol
Exact Mass292.96
IUPAC Name2-[[4-(trifluoromethyl)phenyl]disulfanyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(SSc2nccs2)cc1
InChIInChI=1S/C10H6F3NS3/c11-10(12,13)7-1-3-8(4-2-7)16-17-9-14-5-6-15-9/h1-6H
InChIKeyDOTFSDHCBOMEAB-UHFFFAOYSA-N
XLogP4.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]disulfanyl]-1,3-thiazole?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]disulfanyl]-1,3-thiazole (CID 150068336) is 2-[[4-(trifluoromethyl)phenyl]disulfanyl]-1,3-thiazole.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]disulfanyl]-1,3-thiazole?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]disulfanyl]-1,3-thiazole is FC(F)(F)c1ccc(SSc2nccs2)cc1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]disulfanyl]-1,3-thiazole?
The InChIKey is DOTFSDHCBOMEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NS3/c11-10(12,13)7-1-3-8(4-2-7)16-17-9-14-5-6-15-9/h1-6H.
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]disulfanyl]-1,3-thiazole?
2-[[4-(trifluoromethyl)phenyl]disulfanyl]-1,3-thiazole has a molecular weight of 293.36 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]disulfanyl]-1,3-thiazole is sourced from PubChem (CID 150068336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).