![2-[(4-甲基苯基)硫基]乙酸 structure](/static/products/3996/3996-29-0.webp)
2-[(4-甲基苯基)硫基]乙酸
TL;DR: 2-[(4-甲基苯基)硫基]乙酸 (CAS 3996-29-0) is a chemical compound with molecular formula C9H10O2S and molecular weight 182.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-甲基苯基)硫基]乙酸
2-(4-methylphenyl)sulfanylacetic acid
Also Known As: 4-Methylphenylthioacetic acid, 4-Methyl phenyl thioacetic acid, 2-(p-Tolylthio)acetic acid, (p-Tolylthio)acetic acid, 2-[(4-methylphenyl)sulfanyl]acetic acid
| Molecular Formula | C9H10O2S |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.04015 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 3996-29-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC(=O)O |
| InChIKey | XCRDQVBOVYWDPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(4-甲基苯基)硫基]乙酸 (CAS 3996-29-0), with molecular formula C9H10O2S and molecular weight 182.04 g/mol. IUPAC: 2-(4-methylphenyl)sulfanylacetic acid.
Chemical Property Profile of 2-[(4-甲基苯基)硫基]乙酸
Property Insights of 2-[(4-甲基苯基)硫基]乙酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-甲基苯基)硫基]乙酸. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-甲基苯基)硫基]乙酸. Following Lipinski's Rule of Five, 2-[(4-甲基苯基)硫基]乙酸 has 1 hydrogen bond donor(s) and 3 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 2-[(4-甲基苯基)硫基]乙酸?
The CAS number of 2-[(4-甲基苯基)硫基]乙酸 is 3996-29-0.
What is the molecular formula of 2-[(4-甲基苯基)硫基]乙酸?
The molecular formula of 2-[(4-甲基苯基)硫基]乙酸 is C9H10O2S.
What is the molecular weight of 2-[(4-甲基苯基)硫基]乙酸?
The molecular weight of 2-[(4-甲基苯基)硫基]乙酸 is 182.04 g/mol.
Where can I buy 2-[(4-甲基苯基)硫基]乙酸?
You can request a quote for 2-[(4-甲基苯基)硫基]乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-甲基苯基)硫基]乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-甲基苯基)硫基]乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.