1,3-Benzoxazole, 2-(2-propenylthio)-
TL;DR: 1,3-Benzoxazole, 2-(2-propenylthio)- (CAS 50463-17-7) is a chemical compound with molecular formula C10H9NOS and molecular weight 191.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-prop-2-enylsulfanyl-1,3-benzoxazole
Also Known As: 2-allylthiobenzoxazole, 2-(Allylthio)benzo[d]oxazole, 2-(Allylthio)benzoxazole, 2-prop-2-enylthiobenzoxazole, 2-prop-2-enylsulfanyl-1,3-benzoxazole
| Molecular Formula | C10H9NOS |
|---|---|
| Molecular Weight | 191.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.04048 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 50463-17-7 |
|---|---|
| SMILES | C=CCSC1=NC2=CC=CC=C2O1 |
| InChIKey | JNQGKEVYGVTDKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzoxazole, 2-(2-propenylthio)- (CAS 50463-17-7), with molecular formula C10H9NOS and molecular weight 191.04 g/mol. IUPAC: 2-prop-2-enylsulfanyl-1,3-benzoxazole.
Chemical Property Profile of 1,3-Benzoxazole, 2-(2-propenylthio)-
Property Insights of 1,3-Benzoxazole, 2-(2-propenylthio)-
The XLogP value of 3.4 indicates that 1,3-Benzoxazole, 2-(2-propenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, 1,3-Benzoxazole, 2-(2-propenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzoxazole, 2-(2-propenylthio)- has 0 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-Benzoxazole, 2-(2-propenylthio)-?
The CAS number of 1,3-Benzoxazole, 2-(2-propenylthio)- is 50463-17-7.
What is the molecular formula of 1,3-Benzoxazole, 2-(2-propenylthio)-?
The molecular formula of 1,3-Benzoxazole, 2-(2-propenylthio)- is C10H9NOS.
What is the molecular weight of 1,3-Benzoxazole, 2-(2-propenylthio)-?
The molecular weight of 1,3-Benzoxazole, 2-(2-propenylthio)- is 191.04 g/mol.
Where can I buy 1,3-Benzoxazole, 2-(2-propenylthio)-?
You can request a quote for 1,3-Benzoxazole, 2-(2-propenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzoxazole, 2-(2-propenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzoxazole, 2-(2-propenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.