3-chloro-5-fluoro-4-methylsulfanylphenol

C7H6ClFOS — CID 84664407

IUPAC3-chloro-5-fluoro-4-methylsulfanylphenol
SMILESCSc1c(F)cc(O)cc1Cl
InChIInChI=1S/C7H6ClFOS/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3,10H,1H3
InChIKeyUAWXLILSVMNDMX-UHFFFAOYSA-N
MW192.64 g/mol
LogP2.91
Rot. Bonds1

About 3-chloro-5-fluoro-4-methylsulfanylphenol

3-chloro-5-fluoro-4-methylsulfanylphenol (PubChem CID 84664407) has the molecular formula C7H6ClFOS and a molecular weight of 192.64 g/mol. Its IUPAC name is 3-chloro-5-fluoro-4-methylsulfanylphenol.

Molecular Properties

Compound Name3-chloro-5-fluoro-4-methylsulfanylphenol
PubChem CID84664407
Molecular FormulaC7H6ClFOS
Molecular Weight192.64 g/mol
Exact Mass191.98
IUPAC Name3-chloro-5-fluoro-4-methylsulfanylphenol
SMILESCSc1c(F)cc(O)cc1Cl
InChIInChI=1S/C7H6ClFOS/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3,10H,1H3
InChIKeyUAWXLILSVMNDMX-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.64
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-2-oxoacetic acid
CID 117374840
1,3,5-trichloro-2-methylsulfanylbenzene
CID 86135617
4-(2-aminopropan-2-yl)-3-chloro-5-fluorophenol
CID 84777632
3-chloro-5-fluoro-4-(methylaminomethyl)phenol
CID 84771305
1-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-N-methoxymethanamine
CID 117343938
1-chloro-5-fluoro-3-methyl-2-methylsulfanylbenzene
CID 119009781
5-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-3-amine
CID 117397849
4-(2,6-difluoro-4-hydroxyphenyl)-3,5-difluorophenol
CID 22708583
3,4,5-trifluorophenol
CID 2777943
4-(1-aminocyclopropyl)-3-chloro-5-fluorophenol
CID 84776502
1,4-dichloro-2,3-bis(methylsulfanyl)benzene
CID 129229080
CID 59545109
CID 59545109

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-4-methylsulfanylphenol?
The IUPAC name of 3-chloro-5-fluoro-4-methylsulfanylphenol (CID 84664407) is 3-chloro-5-fluoro-4-methylsulfanylphenol.
What is the SMILES notation for 3-chloro-5-fluoro-4-methylsulfanylphenol?
The canonical SMILES for 3-chloro-5-fluoro-4-methylsulfanylphenol is CSc1c(F)cc(O)cc1Cl.
What is the InChIKey of 3-chloro-5-fluoro-4-methylsulfanylphenol?
The InChIKey is UAWXLILSVMNDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFOS/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3,10H,1H3.
What are the key properties of 3-chloro-5-fluoro-4-methylsulfanylphenol?
3-chloro-5-fluoro-4-methylsulfanylphenol has a molecular weight of 192.64 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-4-methylsulfanylphenol is sourced from PubChem (CID 84664407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).