![[3,5-Dimethyl-4-(sulfanylmethyl)phenyl]methanethiol structure](/static/products/148/148873-80-7.webp)
[3,5-Dimethyl-4-(sulfanylmethyl)phenyl]methanethiol
TL;DR: [3,5-Dimethyl-4-(sulfanylmethyl)phenyl]methanethiol (CAS 148873-80-7) 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.
[3,5-dimethyl-4-(sulfanylmethyl)phenyl]methanethiol
Also Known As: (2,6-dimethyl-1,4-phenylene)dimethanethiol, [2,6-dimethyl-4-(sulfanylmethyl)phenyl]methanethiol
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 | 124.0 |
| SMILES | CC1=CC(=CC(=C1CS)C)CS |
| InChIKey | HMHJLUHJNCLQQS-UHFFFAOYSA-N |
Chemical Property Profile of [3,5-Dimethyl-4-(sulfanylmethyl)phenyl]methanethiol
Property Insights of [3,5-Dimethyl-4-(sulfanylmethyl)phenyl]methanethiol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3,5-Dimethyl-4-(sulfanylmethyl)phenyl]methanethiol. With a topological polar surface area (TPSA) of 2.0 Ų, [3,5-Dimethyl-4-(sulfanylmethyl)phenyl]methanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [3,5-Dimethyl-4-(sulfanylmethyl)phenyl]methanethiol 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 [3,5-Dimethyl-4-(sulfanylmethyl)phenyl]methanethiol?
The CAS number of [3,5-Dimethyl-4-(sulfanylmethyl)phenyl]methanethiol is 148873-80-7.
What is the molecular formula of [3,5-Dimethyl-4-(sulfanylmethyl)phenyl]methanethiol?
The molecular formula of [3,5-Dimethyl-4-(sulfanylmethyl)phenyl]methanethiol is C10H14S2.
What is the molecular weight of [3,5-Dimethyl-4-(sulfanylmethyl)phenyl]methanethiol?
The molecular weight of [3,5-Dimethyl-4-(sulfanylmethyl)phenyl]methanethiol is 198.0537 g/mol.
Where can I buy [3,5-Dimethyl-4-(sulfanylmethyl)phenyl]methanethiol?
You can request a quote for [3,5-Dimethyl-4-(sulfanylmethyl)phenyl]methanethiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [3,5-Dimethyl-4-(sulfanylmethyl)phenyl]methanethiol?
Yes, CoreyChem provides custom synthesis services for [3,5-Dimethyl-4-(sulfanylmethyl)phenyl]methanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.