1,2-Propanediol, 3-(p-tolylthio)-
TL;DR: 1,2-Propanediol, 3-(p-tolylthio)- (CAS 63991-89-9) is a chemical compound with molecular formula C10H14O2S and molecular weight 198.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)sulfanylpropane-1,2-diol
Also Known As: 3-(p-Tolylthio)-1,2-propanediol, 1,2-Propanediol, 3-(p-tolylthio)-, 1,2-propanediol, 3-[(4-methylphenyl)thio]-, KST-1B7030, 3-p-tolylsulfanyl-propane-1,2-diol
| Molecular Formula | C10H14O2S |
|---|---|
| Molecular Weight | 198.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.07146 |
| Heavy Atoms | 13 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 63991-89-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC(CO)O |
| InChIKey | VXZROHSBOPRPGT-UHFFFAOYSA-N |
Product Overview
1,2-Propanediol, 3-(p-tolylthio)- (CAS 63991-89-9), with molecular formula C10H14O2S and molecular weight 198.07 g/mol. IUPAC: 3-(4-methylphenyl)sulfanylpropane-1,2-diol.
Chemical Property Profile of 1,2-Propanediol, 3-(p-tolylthio)-
Property Insights of 1,2-Propanediol, 3-(p-tolylthio)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Propanediol, 3-(p-tolylthio)-. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Propanediol, 3-(p-tolylthio)-. Following Lipinski's Rule of Five, 1,2-Propanediol, 3-(p-tolylthio)- has 2 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 1,2-Propanediol, 3-(p-tolylthio)-?
The CAS number of 1,2-Propanediol, 3-(p-tolylthio)- is 63991-89-9.
What is the molecular formula of 1,2-Propanediol, 3-(p-tolylthio)-?
The molecular formula of 1,2-Propanediol, 3-(p-tolylthio)- is C10H14O2S.
What is the molecular weight of 1,2-Propanediol, 3-(p-tolylthio)-?
The molecular weight of 1,2-Propanediol, 3-(p-tolylthio)- is 198.07 g/mol.
Where can I buy 1,2-Propanediol, 3-(p-tolylthio)-?
You can request a quote for 1,2-Propanediol, 3-(p-tolylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Propanediol, 3-(p-tolylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Propanediol, 3-(p-tolylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.