3-fluoro-4-methyl-2-(sulfanylmethyl)phenol

C8H9FOS — CID 174607030

IUPAC3-fluoro-4-methyl-2-(sulfanylmethyl)phenol
SMILESCc1ccc(O)c(CS)c1F
InChIInChI=1S/C8H9FOS/c1-5-2-3-7(10)6(4-11)8(5)9/h2-3,10-11H,4H2,1H3
InChIKeyORNYTRYAKPQJGW-UHFFFAOYSA-N
MW172.22 g/mol
LogP2.27
Rot. Bonds1

About 3-fluoro-4-methyl-2-(sulfanylmethyl)phenol

3-fluoro-4-methyl-2-(sulfanylmethyl)phenol (PubChem CID 174607030) has the molecular formula C8H9FOS and a molecular weight of 172.22 g/mol. Its IUPAC name is 3-fluoro-4-methyl-2-(sulfanylmethyl)phenol.

Molecular Properties

Compound Name3-fluoro-4-methyl-2-(sulfanylmethyl)phenol
PubChem CID174607030
Molecular FormulaC8H9FOS
Molecular Weight172.22 g/mol
Exact Mass172.04
IUPAC Name3-fluoro-4-methyl-2-(sulfanylmethyl)phenol
SMILESCc1ccc(O)c(CS)c1F
InChIInChI=1S/C8H9FOS/c1-5-2-3-7(10)6(4-11)8(5)9/h2-3,10-11H,4H2,1H3
InChIKeyORNYTRYAKPQJGW-UHFFFAOYSA-N
XLogP2.27
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-chloro-2-fluoro-3-methylphenyl)methanethiol
CID 86098483
3-fluoro-4-methyl-2-[2-(methylamino)ethyl]phenol
CID 84659080
3-(2-fluoro-6-hydroxy-3-methylphenyl)propanoic acid
CID 84668059
3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84789130
2-fluoro-4-methyl-3-(2-methylpropyl)phenol
CID 130177584
2-ethyl-4-methyl-3-sulfanylphenol
CID 167217471
3-bromo-2-fluoro-4-methylphenol
CID 125116434
2-ethyl-4-methylbenzene-1,3-diol
CID 66591823
3-fluoro-2-methoxy-4-methylphenol
CID 164891079
2-ethyl-3,4-difluorophenol
CID 130218632
(4-fluoro-2,6-dimethylphenyl)methanethiol
CID 178171119
2-fluoro-3-(iodomethyl)-1,4-dimethylbenzene
CID 66612978

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-2-(sulfanylmethyl)phenol?
The IUPAC name of 3-fluoro-4-methyl-2-(sulfanylmethyl)phenol (CID 174607030) is 3-fluoro-4-methyl-2-(sulfanylmethyl)phenol.
What is the SMILES notation for 3-fluoro-4-methyl-2-(sulfanylmethyl)phenol?
The canonical SMILES for 3-fluoro-4-methyl-2-(sulfanylmethyl)phenol is Cc1ccc(O)c(CS)c1F.
What is the InChIKey of 3-fluoro-4-methyl-2-(sulfanylmethyl)phenol?
The InChIKey is ORNYTRYAKPQJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FOS/c1-5-2-3-7(10)6(4-11)8(5)9/h2-3,10-11H,4H2,1H3.
What are the key properties of 3-fluoro-4-methyl-2-(sulfanylmethyl)phenol?
3-fluoro-4-methyl-2-(sulfanylmethyl)phenol has a molecular weight of 172.22 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-2-(sulfanylmethyl)phenol is sourced from PubChem (CID 174607030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).