1,3-Propanediol, 2-mercapto-
TL;DR: 1,3-Propanediol, 2-mercapto- (CAS 59129-78-1) is a chemical compound with molecular formula C3H8O2S and molecular weight 108.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylpropane-1,3-diol
Also Known As: 2-thioglycerol, 2-sulfanylpropane-1,3-diol, 1,3-Propanediol, 2-mercapto-, 2-mercapto-1,3-propanediol, 1,3-Propanediol,2-mercapto
| Molecular Formula | C3H8O2S |
|---|---|
| Molecular Weight | 108.02 g/mol |
| LogP | -0.7306 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 108.0245 |
| Heavy Atoms | 6 |
| Complexity | 27.974169 |
Chemical Identifiers
| CAS Number | 59129-78-1 |
|---|---|
| SMILES | C(C(CO)S)O |
Product Overview
1,3-Propanediol, 2-mercapto- (CAS 59129-78-1), with molecular formula C3H8O2S and molecular weight 108.02 g/mol. IUPAC: 2-sulfanylpropane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2-mercapto-
Property Insights of 1,3-Propanediol, 2-mercapto-
The XLogP value of -0.7306 indicates that 1,3-Propanediol, 2-mercapto- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.46 Ų, 1,3-Propanediol, 2-mercapto- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-mercapto- has 3 hydrogen bond donor(s) and 3 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 1,3-Propanediol, 2-mercapto-?
The CAS number of 1,3-Propanediol, 2-mercapto- is 59129-78-1.
What is the molecular formula of 1,3-Propanediol, 2-mercapto-?
The molecular formula of 1,3-Propanediol, 2-mercapto- is C3H8O2S.
What is the molecular weight of 1,3-Propanediol, 2-mercapto-?
The molecular weight of 1,3-Propanediol, 2-mercapto- is 108.02 g/mol.
Where can I buy 1,3-Propanediol, 2-mercapto-?
You can request a quote for 1,3-Propanediol, 2-mercapto- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2-mercapto-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-mercapto- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.