![Benzoic acid, 4-[(methylsulfinyl)methyl]- structure](/static/products/199/199534-99-1.png)
Benzoic acid, 4-[(methylsulfinyl)methyl]-
TL;DR: Benzoic acid, 4-[(methylsulfinyl)methyl]- (CAS 199534-99-1) is a chemical compound with molecular formula C9H10O3S and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methylsulfinylmethyl)benzoic acid
Also Known As: 4-(methylsulfinylmethyl)benzoic acid, Benzoic acid, 4-[(methylsulfinyl)methyl]-, 4-(methanesulfinylmethyl)benzoic acid
| Molecular Formula | C9H10O3S |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.03506 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 199534-99-1 |
|---|---|
| SMILES | CS(=O)CC1=CC=C(C=C1)C(=O)O |
| InChIKey | DUJQJVQTAFTFQT-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-[(methylsulfinyl)methyl]- (CAS 199534-99-1), with molecular formula C9H10O3S and molecular weight 198.04 g/mol. IUPAC: 4-(methylsulfinylmethyl)benzoic acid.
Chemical Property Profile of Benzoic acid, 4-[(methylsulfinyl)methyl]-
Property Insights of Benzoic acid, 4-[(methylsulfinyl)methyl]-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-[(methylsulfinyl)methyl]-. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-[(methylsulfinyl)methyl]-. Following Lipinski's Rule of Five, Benzoic acid, 4-[(methylsulfinyl)methyl]- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-[(methylsulfinyl)methyl]-?
The CAS number of Benzoic acid, 4-[(methylsulfinyl)methyl]- is 199534-99-1.
What is the molecular formula of Benzoic acid, 4-[(methylsulfinyl)methyl]-?
The molecular formula of Benzoic acid, 4-[(methylsulfinyl)methyl]- is C9H10O3S.
What is the molecular weight of Benzoic acid, 4-[(methylsulfinyl)methyl]-?
The molecular weight of Benzoic acid, 4-[(methylsulfinyl)methyl]- is 198.04 g/mol.
Where can I buy Benzoic acid, 4-[(methylsulfinyl)methyl]-?
You can request a quote for Benzoic acid, 4-[(methylsulfinyl)methyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-[(methylsulfinyl)methyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[(methylsulfinyl)methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.