4-(2,4-difluorophenyl)benzenethiol

C12H8F2S — CID 142871981

IUPAC4-(2,4-difluorophenyl)benzenethiol
SMILESFc1ccc(-c2ccc(S)cc2)c(F)c1
InChIInChI=1S/C12H8F2S/c13-9-3-6-11(12(14)7-9)8-1-4-10(15)5-2-8/h1-7,15H
InChIKeyRZMWSJDJTMAUKC-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.92
Rot. Bonds1

About 4-(2,4-difluorophenyl)benzenethiol

4-(2,4-difluorophenyl)benzenethiol (PubChem CID 142871981) has the molecular formula C12H8F2S and a molecular weight of 222.26 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)benzenethiol.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)benzenethiol
PubChem CID142871981
Molecular FormulaC12H8F2S
Molecular Weight222.26 g/mol
Exact Mass222.03
IUPAC Name4-(2,4-difluorophenyl)benzenethiol
SMILESFc1ccc(-c2ccc(S)cc2)c(F)c1
InChIInChI=1S/C12H8F2S/c13-9-3-6-11(12(14)7-9)8-1-4-10(15)5-2-8/h1-7,15H
InChIKeyRZMWSJDJTMAUKC-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-difluorophenyl)pyridine
CID 45036856
1-[4-(1-bromoethyl)phenyl]-2,4-difluorobenzene
CID 21322621
5-(2,4-difluorophenyl)-2-sulfanylbenzonitrile
CID 67074742
4-(2,4-difluorophenyl)benzene-1,2-diamine
CID 172847210
5-(2,4-difluorophenyl)benzene-1,3-diol
CID 171771394
2-(2,4-difluorophenyl)naphthalene
CID 57155988
4-fluorobenzenethiol
CID 158914451
1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone
CID 175647195
2,4-difluoro-1-[4-(3-iodopropyl)phenyl]benzene
CID 25223670
magnesium;2,4-difluoro-1-(4-propan-2-ylphenyl)benzene;bromide
CID 88795663
[4-(2,4-difluorophenyl)phenyl]-dihydroxy-methoxysilane
CID 90171803
[3-fluoro-4-(4-phosphanylphenyl)phenyl]phosphane
CID 144647906

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)benzenethiol?
The IUPAC name of 4-(2,4-difluorophenyl)benzenethiol (CID 142871981) is 4-(2,4-difluorophenyl)benzenethiol.
What is the SMILES notation for 4-(2,4-difluorophenyl)benzenethiol?
The canonical SMILES for 4-(2,4-difluorophenyl)benzenethiol is Fc1ccc(-c2ccc(S)cc2)c(F)c1.
What is the InChIKey of 4-(2,4-difluorophenyl)benzenethiol?
The InChIKey is RZMWSJDJTMAUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2S/c13-9-3-6-11(12(14)7-9)8-1-4-10(15)5-2-8/h1-7,15H.
What are the key properties of 4-(2,4-difluorophenyl)benzenethiol?
4-(2,4-difluorophenyl)benzenethiol has a molecular weight of 222.26 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)benzenethiol is sourced from PubChem (CID 142871981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).