2,2-Bis(sulfanylmethyl)propane-1,3-diol
TL;DR: 2,2-Bis(sulfanylmethyl)propane-1,3-diol (CAS 19333-66-5) is a chemical compound with molecular formula C5H12O2S2 and molecular weight 168.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(sulfanylmethyl)propane-1,3-diol
Also Known As: 2,3-diol, 2,2-bis(sulfanylmethyl)propane-1,3-diol, 2,2-bis(mercaptomethyl)-1,3-propanediol, 1,3-Propanediol,2,2-bis(mercaptomethyl)-, 1,3-Propanediol, 2,2-bis(mercaptomethyl)-
| Molecular Formula | C5H12O2S2 |
|---|---|
| Molecular Weight | 168.03 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.02788 |
| Heavy Atoms | 9 |
| Complexity | 67.0 |
Chemical Identifiers
| CAS Number | 19333-66-5 |
|---|---|
| SMILES | C(C(CO)(CS)CS)O |
| InChIKey | SLKXGYYUITVNDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Bis(sulfanylmethyl)propane-1,3-diol (CAS 19333-66-5), with molecular formula C5H12O2S2 and molecular weight 168.03 g/mol. IUPAC: 2,2-bis(sulfanylmethyl)propane-1,3-diol.
Chemical Property Profile of 2,2-Bis(sulfanylmethyl)propane-1,3-diol
Property Insights of 2,2-Bis(sulfanylmethyl)propane-1,3-diol
The XLogP value of -0.4 indicates that 2,2-Bis(sulfanylmethyl)propane-1,3-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.5 Ų, 2,2-Bis(sulfanylmethyl)propane-1,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Bis(sulfanylmethyl)propane-1,3-diol has 4 hydrogen bond donor(s) and 4 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-Bis(sulfanylmethyl)propane-1,3-diol?
The CAS number of 2,2-Bis(sulfanylmethyl)propane-1,3-diol is 19333-66-5.
What is the molecular formula of 2,2-Bis(sulfanylmethyl)propane-1,3-diol?
The molecular formula of 2,2-Bis(sulfanylmethyl)propane-1,3-diol is C5H12O2S2.
What is the molecular weight of 2,2-Bis(sulfanylmethyl)propane-1,3-diol?
The molecular weight of 2,2-Bis(sulfanylmethyl)propane-1,3-diol is 168.03 g/mol.
Where can I buy 2,2-Bis(sulfanylmethyl)propane-1,3-diol?
You can request a quote for 2,2-Bis(sulfanylmethyl)propane-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Bis(sulfanylmethyl)propane-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Bis(sulfanylmethyl)propane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.