1,4-Benzenedimethanethiol
TL;DR: 1,4-Benzenedimethanethiol (CAS 105-09-9) is a chemical compound with molecular formula C8H10S2 and molecular weight 170.0224 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(sulfanylmethyl)phenyl]methanethiol
Also Known As: 1,4-Benzenedimethanethiol, p-Xylylenedithiol, 1,4-Bis(mercaptomethyl)benzene, 1,4-Benzene dimethanethiol, Para-Xylene
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10S2 |
| Molecular Weight | 170.0224 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 2.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.0224 Da |
| Heavy Atoms | 10 |
| Complexity | 73.0 |
| SMILES | C1=CC(=CC=C1CS)CS |
| InChIKey | IYPNRTQAOXLCQW-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Benzenedimethanethiol
Property Insights of 1,4-Benzenedimethanethiol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenedimethanethiol. With a topological polar surface area (TPSA) of 2.0 Ų, 1,4-Benzenedimethanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-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 1,4-Benzenedimethanethiol?
The CAS number of 1,4-Benzenedimethanethiol is 105-09-9.
What is the molecular formula of 1,4-Benzenedimethanethiol?
The molecular formula of 1,4-Benzenedimethanethiol is C8H10S2.
What is the molecular weight of 1,4-Benzenedimethanethiol?
The molecular weight of 1,4-Benzenedimethanethiol is 170.0224 g/mol.
Where can I buy 1,4-Benzenedimethanethiol?
You can request a quote for 1,4-Benzenedimethanethiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Benzenedimethanethiol?
Yes, CoreyChem provides custom synthesis services for 1,4-Benzenedimethanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.