2,2-Dimethyl-1,3-propanedithiol
TL;DR: 2,2-Dimethyl-1,3-propanedithiol (CAS 53555-42-3) is a chemical compound with molecular formula C5H12S2 and molecular weight 136.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropane-1,3-dithiol
Also Known As: 2,2-dimethyl-1,3-propanedithiol, 2,2-dimethylpropane-1,3-dithiol, 2,2-Dimethyl-1,3-propanebisthiol, 2,2-Dimethylpropane-1,3-bisthiol, 1,3-Dimercapto-2,2-dimethylpropane
| Molecular Formula | C5H12S2 |
|---|---|
| Molecular Weight | 136.04 g/mol |
| LogP | 1.8722 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.03804 |
| Heavy Atoms | 7 |
| Complexity | 44.041843 |
Chemical Identifiers
| CAS Number | 53555-42-3 |
|---|---|
| SMILES | CC(C)(CS)CS |
Product Overview
2,2-Dimethyl-1,3-propanedithiol (CAS 53555-42-3), with molecular formula C5H12S2 and molecular weight 136.04 g/mol. IUPAC: 2,2-dimethylpropane-1,3-dithiol.
Chemical Property Profile of 2,2-Dimethyl-1,3-propanedithiol
Property Insights of 2,2-Dimethyl-1,3-propanedithiol
The XLogP value of 1.8722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-1,3-propanedithiol. With a topological polar surface area (TPSA) of 0.0 Ų, 2,2-Dimethyl-1,3-propanedithiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-1,3-propanedithiol 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
Frequently Asked Questions
What is the CAS number of 2,2-Dimethyl-1,3-propanedithiol?
The CAS number of 2,2-Dimethyl-1,3-propanedithiol is 53555-42-3.
What is the molecular formula of 2,2-Dimethyl-1,3-propanedithiol?
The molecular formula of 2,2-Dimethyl-1,3-propanedithiol is C5H12S2.
What is the molecular weight of 2,2-Dimethyl-1,3-propanedithiol?
The molecular weight of 2,2-Dimethyl-1,3-propanedithiol is 136.04 g/mol.
Where can I buy 2,2-Dimethyl-1,3-propanedithiol?
You can request a quote for 2,2-Dimethyl-1,3-propanedithiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-1,3-propanedithiol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-1,3-propanedithiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.