5-fluoro-2-methyl-3-methylsulfanylbenzoic acid

C9H9FO2S — CID 164895491

IUPAC5-fluoro-2-methyl-3-methylsulfanylbenzoic acid
SMILESCSc1cc(F)cc(C(=O)O)c1C
InChIInChI=1S/C9H9FO2S/c1-5-7(9(11)12)3-6(10)4-8(5)13-2/h3-4H,1-2H3,(H,11,12)
InChIKeyMSBGFMMRUDOCNS-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.55
Rot. Bonds2

About 5-fluoro-2-methyl-3-methylsulfanylbenzoic acid

5-fluoro-2-methyl-3-methylsulfanylbenzoic acid (PubChem CID 164895491) has the molecular formula C9H9FO2S and a molecular weight of 200.23 g/mol. Its IUPAC name is 5-fluoro-2-methyl-3-methylsulfanylbenzoic acid.

Molecular Properties

Compound Name5-fluoro-2-methyl-3-methylsulfanylbenzoic acid
PubChem CID164895491
Molecular FormulaC9H9FO2S
Molecular Weight200.23 g/mol
Exact Mass200.03
IUPAC Name5-fluoro-2-methyl-3-methylsulfanylbenzoic acid
SMILESCSc1cc(F)cc(C(=O)O)c1C
InChIInChI=1S/C9H9FO2S/c1-5-7(9(11)12)3-6(10)4-8(5)13-2/h3-4H,1-2H3,(H,11,12)
InChIKeyMSBGFMMRUDOCNS-UHFFFAOYSA-N
XLogP2.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-2-methyl-3-methylsulfanylbenzoic 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

4-methyl-5-methylsulfanylbenzene-1,3-dicarboxylic acid
CID 174859603
2-chloro-5-fluoro-3-methylbenzoic acid
CID 53430534
5-fluoro-2-trimethylsilylbenzene-1,3-dicarboxylic acid
CID 178095906
3-fluoro-2,4,5-trimethylbenzoic acid
CID 21472508
4-fluoro-2-methoxybenzoic acid;4-fluoro-2-methoxy-6-methylsulfanylbenzoic acid
CID 159885282
2-chloro-4-fluoro-5-methylsulfanylbenzoic acid
CID 91881656
2-chloro-5-fluoro-3-hydroxybenzoic acid
CID 131954804
2-(2,5-difluoro-3-methylsulfanylphenyl)propanoic acid
CID 117336105
5-amino-3-fluoro-2,4-dimethylbenzoic acid
CID 84768923
4-fluoro-2-(2-methylsulfanylphenyl)benzoic acid
CID 53226362
6-fluoro-1-methylnaphthalene-2-carboxylic acid
CID 115023270
4-amino-3-fluoro-2,5-dimethylbenzoic acid
CID 84768928

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-3-methylsulfanylbenzoic acid?
The IUPAC name of 5-fluoro-2-methyl-3-methylsulfanylbenzoic acid (CID 164895491) is 5-fluoro-2-methyl-3-methylsulfanylbenzoic acid.
What is the SMILES notation for 5-fluoro-2-methyl-3-methylsulfanylbenzoic acid?
The canonical SMILES for 5-fluoro-2-methyl-3-methylsulfanylbenzoic acid is CSc1cc(F)cc(C(=O)O)c1C.
What is the InChIKey of 5-fluoro-2-methyl-3-methylsulfanylbenzoic acid?
The InChIKey is MSBGFMMRUDOCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2S/c1-5-7(9(11)12)3-6(10)4-8(5)13-2/h3-4H,1-2H3,(H,11,12).
What are the key properties of 5-fluoro-2-methyl-3-methylsulfanylbenzoic acid?
5-fluoro-2-methyl-3-methylsulfanylbenzoic acid has a molecular weight of 200.23 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-3-methylsulfanylbenzoic acid is sourced from PubChem (CID 164895491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).