(2-fluoro-4-methylphenyl)methanesulfinic acid

C8H9FO2S — CID 58298361

IUPAC(2-fluoro-4-methylphenyl)methanesulfinic acid
SMILESCc1ccc(CS(=O)O)c(F)c1
InChIInChI=1S/C8H9FO2S/c1-6-2-3-7(5-12(10)11)8(9)4-6/h2-4H,5H2,1H3,(H,10,11)
InChIKeyRJWNZALFNFMDRV-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.86
Rot. Bonds2

About (2-fluoro-4-methylphenyl)methanesulfinic acid

(2-fluoro-4-methylphenyl)methanesulfinic acid (PubChem CID 58298361) has the molecular formula C8H9FO2S and a molecular weight of 188.22 g/mol. Its IUPAC name is (2-fluoro-4-methylphenyl)methanesulfinic acid.

Molecular Properties

Compound Name(2-fluoro-4-methylphenyl)methanesulfinic acid
PubChem CID58298361
Molecular FormulaC8H9FO2S
Molecular Weight188.22 g/mol
Exact Mass188.03
IUPAC Name(2-fluoro-4-methylphenyl)methanesulfinic acid
SMILESCc1ccc(CS(=O)O)c(F)c1
InChIInChI=1S/C8H9FO2S/c1-6-2-3-7(5-12(10)11)8(9)4-6/h2-4H,5H2,1H3,(H,10,11)
InChIKeyRJWNZALFNFMDRV-UHFFFAOYSA-N
XLogP1.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-fluoro-4-methylphenyl)methanesulfinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-4-methylphenyl)methanesulfinic acid
CID 174497661
4-(2-fluoro-4-methylphenyl)butan-2-one
CID 83696261
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
2-fluoro-4-methyl-1-(2-methylpropyl)benzene
CID 59283432
(2-amino-4-fluorophenyl)methanesulfinic acid
CID 174464385
4-(2-fluoro-4-methylphenyl)-2-methylbutan-2-ol
CID 142361288
O-[(2-fluoro-4-methylphenyl)methyl]hydroxylamine
CID 117276043
3-amino-2-(2-fluoro-4-methylphenyl)-3-oxopropane-1-sulfinic acid
CID 59874431
acetyloxymethyl 2-(2-fluoro-4-methylphenyl)acetate
CID 58883436
2-[(2-fluoro-4-methylphenyl)methyl]guanidine;hydrochloride
CID 141469416
2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene
CID 134273599
2-bromo-1-(2-fluoro-4-methylphenyl)-4,4-dimethylpentan-3-one
CID 55071639

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methylphenyl)methanesulfinic acid?
The IUPAC name of (2-fluoro-4-methylphenyl)methanesulfinic acid (CID 58298361) is (2-fluoro-4-methylphenyl)methanesulfinic acid.
What is the SMILES notation for (2-fluoro-4-methylphenyl)methanesulfinic acid?
The canonical SMILES for (2-fluoro-4-methylphenyl)methanesulfinic acid is Cc1ccc(CS(=O)O)c(F)c1.
What is the InChIKey of (2-fluoro-4-methylphenyl)methanesulfinic acid?
The InChIKey is RJWNZALFNFMDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2S/c1-6-2-3-7(5-12(10)11)8(9)4-6/h2-4H,5H2,1H3,(H,10,11).
What are the key properties of (2-fluoro-4-methylphenyl)methanesulfinic acid?
(2-fluoro-4-methylphenyl)methanesulfinic acid has a molecular weight of 188.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methylphenyl)methanesulfinic acid is sourced from PubChem (CID 58298361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).