4-hydroxy-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-2-thione

C11H8F3NOS2 — CID 90751817

IUPAC4-hydroxy-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-2-thione
SMILESOc1csc(=S)n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H8F3NOS2/c12-11(13,14)8-3-1-7(2-4-8)5-15-9(16)6-18-10(15)17/h1-4,6,16H,5H2
InChIKeyHDVBMXXURKXHRZ-UHFFFAOYSA-N
MW291.32 g/mol
LogP4.05
Rot. Bonds2

About 4-hydroxy-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-2-thione

4-hydroxy-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-2-thione (PubChem CID 90751817) has the molecular formula C11H8F3NOS2 and a molecular weight of 291.32 g/mol. Its IUPAC name is 4-hydroxy-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-2-thione
PubChem CID90751817
Molecular FormulaC11H8F3NOS2
Molecular Weight291.32 g/mol
Exact Mass291.00
IUPAC Name4-hydroxy-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-2-thione
SMILESOc1csc(=S)n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H8F3NOS2/c12-11(13,14)8-3-1-7(2-4-8)5-15-9(16)6-18-10(15)17/h1-4,6,16H,5H2
InChIKeyHDVBMXXURKXHRZ-UHFFFAOYSA-N
XLogP4.05
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-2-thione?
The IUPAC name of 4-hydroxy-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-2-thione (CID 90751817) is 4-hydroxy-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-2-thione.
What is the SMILES notation for 4-hydroxy-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-2-thione?
The canonical SMILES for 4-hydroxy-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-2-thione is Oc1csc(=S)n1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-hydroxy-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-2-thione?
The InChIKey is HDVBMXXURKXHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NOS2/c12-11(13,14)8-3-1-7(2-4-8)5-15-9(16)6-18-10(15)17/h1-4,6,16H,5H2.
What are the key properties of 4-hydroxy-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-2-thione?
4-hydroxy-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-2-thione has a molecular weight of 291.32 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-2-thione is sourced from PubChem (CID 90751817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).