Benzeneacetic acid, 4-((1-methylethyl)thio)-
TL;DR: Benzeneacetic acid, 4-((1-methylethyl)thio)- (CAS 3583-60-6) is a chemical compound with molecular formula C11H14O2S and molecular weight 210.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-propan-2-ylsulfanylphenyl)acetic acid
Also Known As: [4-(isopropylsulfanyl)phenyl]acetic acid|2-(4-propan-2-ylsulfanylphenyl)acetic acid|(4-(2-Propylthio)phenyl)acetic acid|2-[4-(propan-2-ylsulfanyl)phenyl]acetic acid|4-((1-Methylethyl)thio)benzeneacetic acid|Benzeneacetic acid, 4-((1-methylethyl)thio)-|[p-(isopropylthio)phenyl]acetic acid|2-(4-(isopropylthio)phenyl)aceticacid|2-(4-(isopropylthio)phenyl)acetic acid|2-[4-(Isopropylsulfanyl)phenyl]acetic acid|2-(4-isopropylsulfanylphenyl)acetic acid|{4-[(Propan-2-yl)sulfanyl]phenyl}acetic acid|AE-641/30108018|BRN 2966772|RefChem:324139|DTXCID30111855|SMSSF-0017390|EN300-130385
| Molecular Formula | C11H14O2S |
|---|---|
| Molecular Weight | 210.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.07146 |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 3583-60-6 |
|---|---|
| SMILES | CC(C)SC1=CC=C(C=C1)CC(=O)O |
| InChIKey | YTQYUIVFQJZMHZ-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, 4-((1-methylethyl)thio)- (CAS 3583-60-6), with molecular formula C11H14O2S and molecular weight 210.07 g/mol. IUPAC: 2-(4-propan-2-ylsulfanylphenyl)acetic acid.
Chemical Property Profile of Benzeneacetic acid, 4-((1-methylethyl)thio)-
Property Insights of Benzeneacetic acid, 4-((1-methylethyl)thio)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 4-((1-methylethyl)thio)-. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 4-((1-methylethyl)thio)-. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-((1-methylethyl)thio)- 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 Benzeneacetic acid, 4-((1-methylethyl)thio)-?
The CAS number of Benzeneacetic acid, 4-((1-methylethyl)thio)- is 3583-60-6.
What is the molecular formula of Benzeneacetic acid, 4-((1-methylethyl)thio)-?
The molecular formula of Benzeneacetic acid, 4-((1-methylethyl)thio)- is C11H14O2S.
What is the molecular weight of Benzeneacetic acid, 4-((1-methylethyl)thio)-?
The molecular weight of Benzeneacetic acid, 4-((1-methylethyl)thio)- is 210.07 g/mol.
Where can I buy Benzeneacetic acid, 4-((1-methylethyl)thio)-?
You can request a quote for Benzeneacetic acid, 4-((1-methylethyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 4-((1-methylethyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-((1-methylethyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.