4,5-Dimethyl-1,2-benzenedimethanethiol
TL;DR: 4,5-Dimethyl-1,2-benzenedimethanethiol (CAS 10230-61-2) is a chemical compound with molecular formula C10H14S2 and molecular weight 198.0537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4,5-dimethyl-2-(sulfanylmethyl)phenyl]methanethiol
Also Known As: 4,5-Bis(mercaptomethyl)-o-xylene, 1,2-Benzenedimethanethiol, 4,5-dimethyl-, durene-a1,a2-dithiol, 1, 4,5-dimethyl-, Durene-alpha1,alpha2-dithiol
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H14S2 |
| Molecular Weight | 198.0537 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 2.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.0537 Da |
| Heavy Atoms | 12 |
| Complexity | 120.0 |
| SMILES | CC1=CC(=C(C=C1C)CS)CS |
| InChIKey | NNGQXIUDFKIVKI-UHFFFAOYSA-N |
Chemical Property Profile of 4,5-Dimethyl-1,2-benzenedimethanethiol
Property Insights of 4,5-Dimethyl-1,2-benzenedimethanethiol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethyl-1,2-benzenedimethanethiol. With a topological polar surface area (TPSA) of 2.0 Ų, 4,5-Dimethyl-1,2-benzenedimethanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethyl-1,2-benzenedimethanethiol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,5-Dimethyl-1,2-benzenedimethanethiol?
The CAS number of 4,5-Dimethyl-1,2-benzenedimethanethiol is 10230-61-2.
What is the molecular formula of 4,5-Dimethyl-1,2-benzenedimethanethiol?
The molecular formula of 4,5-Dimethyl-1,2-benzenedimethanethiol is C10H14S2.
What is the molecular weight of 4,5-Dimethyl-1,2-benzenedimethanethiol?
The molecular weight of 4,5-Dimethyl-1,2-benzenedimethanethiol is 198.0537 g/mol.
Where can I buy 4,5-Dimethyl-1,2-benzenedimethanethiol?
You can request a quote for 4,5-Dimethyl-1,2-benzenedimethanethiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5-Dimethyl-1,2-benzenedimethanethiol?
Yes, CoreyChem provides custom synthesis services for 4,5-Dimethyl-1,2-benzenedimethanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.