2-Phenylpropane-2-thiol
TL;DR: 2-Phenylpropane-2-thiol (CAS 16325-88-5) is a chemical compound with molecular formula C9H12S and molecular weight 152.06598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenylpropane-2-thiol
Also Known As: 2-phenylpropane-2-thiol, alpha,alpha-Dimethylbenzyl mercaptan, A,, A-Dimethylbenzyl mercaptan, 2-phenylpropan-2-thiol
Technical Specifications
| Molecular Formula | C9H12S |
| Molecular Weight | 152.06598 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.06598 Da |
| Heavy Atoms | 10 |
| Complexity | 101.0 |
| SMILES | CC(C)(C1=CC=CC=C1)S |
| InChIKey | WBDRVMIJNFZLMN-UHFFFAOYSA-N |
Chemical Property Profile of 2-Phenylpropane-2-thiol
Property Insights of 2-Phenylpropane-2-thiol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylpropane-2-thiol. With a topological polar surface area (TPSA) of 1.0 Ų, 2-Phenylpropane-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylpropane-2-thiol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Phenylpropane-2-thiol?
The CAS number of 2-Phenylpropane-2-thiol is 16325-88-5.
What is the molecular formula of 2-Phenylpropane-2-thiol?
The molecular formula of 2-Phenylpropane-2-thiol is C9H12S.
What is the molecular weight of 2-Phenylpropane-2-thiol?
The molecular weight of 2-Phenylpropane-2-thiol is 152.06598 g/mol.
Where can I buy 2-Phenylpropane-2-thiol?
You can request a quote for 2-Phenylpropane-2-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phenylpropane-2-thiol?
Yes, CoreyChem provides custom synthesis services for 2-Phenylpropane-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.