Benzoic acid, 2-isopropylthio-, methyl ester
TL;DR: Benzoic acid, 2-isopropylthio-, methyl ester (CAS 154550-03-5) is a chemical compound with molecular formula C11H14O2S and molecular weight 210.07146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-propan-2-ylsulfanylbenzoate
Also Known As: Methyl 2-propan-2-ylsulfanylbenzoate, methyl 2-(propan-2-ylsulfanyl)benzoate, METHYL 2-(ISOPROPYLSULFANYL)BENZOATE, Benzoic acid, 2-isopropylthio-, methyl ester, 2-(Isopropylthio)benzoic acid methyl ester
Technical Specifications
| Molecular Formula | C11H14O2S |
| Molecular Weight | 210.07146 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.07146 Da |
| Heavy Atoms | 14 |
| Complexity | 192.0 |
| SMILES | CC(C)SC1=CC=CC=C1C(=O)OC |
| InChIKey | PYOGZXOVBWKXFK-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-isopropylthio-, methyl ester
Property Insights of Benzoic acid, 2-isopropylthio-, methyl ester
The XLogP value of 3.1 indicates that Benzoic acid, 2-isopropylthio-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Benzoic acid, 2-isopropylthio-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-isopropylthio-, methyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-isopropylthio-, methyl ester?
The CAS number of Benzoic acid, 2-isopropylthio-, methyl ester is 154550-03-5.
What is the molecular formula of Benzoic acid, 2-isopropylthio-, methyl ester?
The molecular formula of Benzoic acid, 2-isopropylthio-, methyl ester is C11H14O2S.
What is the molecular weight of Benzoic acid, 2-isopropylthio-, methyl ester?
The molecular weight of Benzoic acid, 2-isopropylthio-, methyl ester is 210.07146 g/mol.
Where can I buy Benzoic acid, 2-isopropylthio-, methyl ester?
You can request a quote for Benzoic acid, 2-isopropylthio-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-isopropylthio-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-isopropylthio-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.