2-chloro-4-methylsulfanyl-6-(trifluoromethyl)phenol

C8H6ClF3OS — CID 162551664

IUPAC2-chloro-4-methylsulfanyl-6-(trifluoromethyl)phenol
SMILESCSc1cc(Cl)c(O)c(C(F)(F)F)c1
InChIInChI=1S/C8H6ClF3OS/c1-14-4-2-5(8(10,11)12)7(13)6(9)3-4/h2-3,13H,1H3
InChIKeyNUWSRAWGTCNWKM-UHFFFAOYSA-N
MW242.65 g/mol
LogP3.79
Rot. Bonds1

About 2-chloro-4-methylsulfanyl-6-(trifluoromethyl)phenol

2-chloro-4-methylsulfanyl-6-(trifluoromethyl)phenol (PubChem CID 162551664) has the molecular formula C8H6ClF3OS and a molecular weight of 242.65 g/mol. Its IUPAC name is 2-chloro-4-methylsulfanyl-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-chloro-4-methylsulfanyl-6-(trifluoromethyl)phenol
PubChem CID162551664
Molecular FormulaC8H6ClF3OS
Molecular Weight242.65 g/mol
Exact Mass241.98
IUPAC Name2-chloro-4-methylsulfanyl-6-(trifluoromethyl)phenol
SMILESCSc1cc(Cl)c(O)c(C(F)(F)F)c1
InChIInChI=1S/C8H6ClF3OS/c1-14-4-2-5(8(10,11)12)7(13)6(9)3-4/h2-3,13H,1H3
InChIKeyNUWSRAWGTCNWKM-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.65
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylsulfanyl-6-(trifluoromethyl)phenol?
The IUPAC name of 2-chloro-4-methylsulfanyl-6-(trifluoromethyl)phenol (CID 162551664) is 2-chloro-4-methylsulfanyl-6-(trifluoromethyl)phenol.
What is the SMILES notation for 2-chloro-4-methylsulfanyl-6-(trifluoromethyl)phenol?
The canonical SMILES for 2-chloro-4-methylsulfanyl-6-(trifluoromethyl)phenol is CSc1cc(Cl)c(O)c(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-4-methylsulfanyl-6-(trifluoromethyl)phenol?
The InChIKey is NUWSRAWGTCNWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3OS/c1-14-4-2-5(8(10,11)12)7(13)6(9)3-4/h2-3,13H,1H3.
What are the key properties of 2-chloro-4-methylsulfanyl-6-(trifluoromethyl)phenol?
2-chloro-4-methylsulfanyl-6-(trifluoromethyl)phenol has a molecular weight of 242.65 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylsulfanyl-6-(trifluoromethyl)phenol is sourced from PubChem (CID 162551664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).