3-(Phenylthio)-1,2-propanediol
TL;DR: 3-(Phenylthio)-1,2-propanediol (CAS 5149-48-4) is a chemical compound with molecular formula C9H12O2S and molecular weight 184.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylsulfanylpropane-1,2-diol
Also Known As: 3-Phenylthio-1,2-propanediol, starbld0042176, 3-(phenylthio)propane-1,2-diol, 3-(phenylthio)-1,2-propanediol, 1,2-PROPANEDIOL, 3-PHENYLTHIO-
| Molecular Formula | C9H12O2S |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.0558 |
| Heavy Atoms | 12 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 5149-48-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC(CO)O |
| InChIKey | ANJROQCDRGDKMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Phenylthio)-1,2-propanediol (CAS 5149-48-4), with molecular formula C9H12O2S and molecular weight 184.06 g/mol. IUPAC: 3-phenylsulfanylpropane-1,2-diol.
Chemical Property Profile of 3-(Phenylthio)-1,2-propanediol
Property Insights of 3-(Phenylthio)-1,2-propanediol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Phenylthio)-1,2-propanediol. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Phenylthio)-1,2-propanediol. Following Lipinski's Rule of Five, 3-(Phenylthio)-1,2-propanediol 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 3-(Phenylthio)-1,2-propanediol?
The CAS number of 3-(Phenylthio)-1,2-propanediol is 5149-48-4.
What is the molecular formula of 3-(Phenylthio)-1,2-propanediol?
The molecular formula of 3-(Phenylthio)-1,2-propanediol is C9H12O2S.
What is the molecular weight of 3-(Phenylthio)-1,2-propanediol?
The molecular weight of 3-(Phenylthio)-1,2-propanediol is 184.06 g/mol.
Where can I buy 3-(Phenylthio)-1,2-propanediol?
You can request a quote for 3-(Phenylthio)-1,2-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Phenylthio)-1,2-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 3-(Phenylthio)-1,2-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.