{3-[(Isopropylthio)methyl]-5-[4-(trifluoromethyl)phenyl]thien-2-yl}methanol

HCID 21986403
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)SCc1cc(-c2ccc(C(F)(F)F)cc2)sc1CO
InChIKey
FJMFECGTJJKGAB-UHFFFAOYSA-N
Molecular formula
C16H17F3OS2
Average molar mass
346.4 g/mol

Names & identifiers

Preferred name
{3-[(Isopropylthio)methyl]-5-[4-(trifluoromethyl)phenyl]thien-2-yl}methanol
IUPAC
[3-(propan-2-ylsulfanylmethyl)-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methanol

Names & synonyms

{3-[(isopropylthio)methyl]-5-[4-(trifluoromethyl)phenyl]thien-2-yl}methanolSCHEMBL5860675{5-[4-(trifluoromethyl)phenyl]-3-[(isopropylthio)methyl]thien-2-yl}methanol

Database identifiers

PubChem CID
21986403

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
73.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

Loading…