2,3-Xylenethiol
TL;DR: 2,3-Xylenethiol (CAS 18800-51-6) is a chemical compound with molecular formula C8H10S and molecular weight 138.05032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dimethylbenzenethiol
Also Known As: 2,3-Dimethylbenzenethiol, 2,3-DIMETHYLTHIOPHENOL, Thioxylenol, Benzenethiol, dimethyl-, Benzenethiol, 2,3-dimethyl-
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10S |
| Molecular Weight | 138.05032 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.05032 Da |
| Heavy Atoms | 9 |
| Complexity | 90.0 |
| SMILES | CC1=C(C(=CC=C1)S)C |
| InChIKey | NDKJATAIMQKTPM-UHFFFAOYSA-N |
Chemical Property Profile of 2,3-Xylenethiol
Property Insights of 2,3-Xylenethiol
The XLogP value of 3.2 indicates that 2,3-Xylenethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 2,3-Xylenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Xylenethiol 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 2,3-Xylenethiol?
The CAS number of 2,3-Xylenethiol is 18800-51-6.
What is the molecular formula of 2,3-Xylenethiol?
The molecular formula of 2,3-Xylenethiol is C8H10S.
What is the molecular weight of 2,3-Xylenethiol?
The molecular weight of 2,3-Xylenethiol is 138.05032 g/mol.
Where can I buy 2,3-Xylenethiol?
You can request a quote for 2,3-Xylenethiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Xylenethiol?
Yes, CoreyChem provides custom synthesis services for 2,3-Xylenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.