2-(2-chloro-6-fluorophenoxy)ethanethiol

C8H8ClFOS — CID 83053804

IUPAC2-(2-chloro-6-fluorophenoxy)ethanethiol
SMILESFc1cccc(Cl)c1OCCS
InChIInChI=1S/C8H8ClFOS/c9-6-2-1-3-7(10)8(6)11-4-5-12/h1-3,12H,4-5H2
InChIKeyLDXXNSCOKWQREP-UHFFFAOYSA-N
MW206.67 g/mol
LogP2.79
Rot. Bonds3

About 2-(2-chloro-6-fluorophenoxy)ethanethiol

2-(2-chloro-6-fluorophenoxy)ethanethiol (PubChem CID 83053804) has the molecular formula C8H8ClFOS and a molecular weight of 206.67 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenoxy)ethanethiol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenoxy)ethanethiol
PubChem CID83053804
Molecular FormulaC8H8ClFOS
Molecular Weight206.67 g/mol
Exact Mass206.00
IUPAC Name2-(2-chloro-6-fluorophenoxy)ethanethiol
SMILESFc1cccc(Cl)c1OCCS
InChIInChI=1S/C8H8ClFOS/c9-6-2-1-3-7(10)8(6)11-4-5-12/h1-3,12H,4-5H2
InChIKeyLDXXNSCOKWQREP-UHFFFAOYSA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6-(2-chloro-6-fluorophenoxy)hexane-1-thiol
CID 83052361
3-(2-chloro-6-fluorophenoxy)propanethioamide
CID 83051817
4-(2-chloro-6-fluorophenoxy)butanoic acid
CID 83051076
5-(2-chloro-6-fluorophenoxy)pentanenitrile
CID 83050668
1-chloro-3-fluoro-2-(methoxymethoxy)benzene
CID 131130632
tert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane
CID 141107768
4-(2-chloro-6-fluorophenoxy)butanethioamide
CID 83051397
5-(2-chloro-6-fluorophenoxy)pentane-1-sulfonyl chloride
CID 83053085
6-(2-chloro-6-fluorophenoxy)hexan-2-one
CID 83051301
2-(5-bromo-3-methylpentoxy)-1-chloro-3-fluorobenzene
CID 83050874
3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 83050986
3-(2,6-difluorophenoxy)propan-1-ol
CID 112728266

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenoxy)ethanethiol?
The IUPAC name of 2-(2-chloro-6-fluorophenoxy)ethanethiol (CID 83053804) is 2-(2-chloro-6-fluorophenoxy)ethanethiol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenoxy)ethanethiol?
The canonical SMILES for 2-(2-chloro-6-fluorophenoxy)ethanethiol is Fc1cccc(Cl)c1OCCS.
What is the InChIKey of 2-(2-chloro-6-fluorophenoxy)ethanethiol?
The InChIKey is LDXXNSCOKWQREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFOS/c9-6-2-1-3-7(10)8(6)11-4-5-12/h1-3,12H,4-5H2.
What are the key properties of 2-(2-chloro-6-fluorophenoxy)ethanethiol?
2-(2-chloro-6-fluorophenoxy)ethanethiol has a molecular weight of 206.67 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenoxy)ethanethiol is sourced from PubChem (CID 83053804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).