3H-1,3-oxazole-2-thione
TL;DR: 3H-1,3-oxazole-2-thione (CAS 82358-02-9) is a chemical compound with molecular formula C3H3NOS and molecular weight 100.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3H-1,3-oxazole-2-thione
Also Known As: 3H-oxazole-2-thione, 2-Oxazolethiol, oxazole-2(3H)-thione, 2(3H)-Oxazolethione, 2-mercaptooxazole
| Molecular Formula | C3H3NOS |
|---|---|
| Molecular Weight | 100.99 g/mol |
| LogP | 1.33719 |
| Topological Polar Surface Area | 28.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 100.99354 |
| Heavy Atoms | 6 |
| Complexity | 148.55606 |
Chemical Identifiers
| CAS Number | 82358-02-9 |
|---|---|
| SMILES | C1=COC(=S)N1 |
Product Overview
3H-1,3-oxazole-2-thione (CAS 82358-02-9), with molecular formula C3H3NOS and molecular weight 100.99 g/mol. IUPAC: 3H-1,3-oxazole-2-thione.
Chemical Property Profile of 3H-1,3-oxazole-2-thione
Property Insights of 3H-1,3-oxazole-2-thione
The XLogP value of 1.33719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,3-oxazole-2-thione. With a topological polar surface area (TPSA) of 28.93 Ų, 3H-1,3-oxazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,3-oxazole-2-thione has 1 hydrogen bond donor(s) and 2 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 3H-1,3-oxazole-2-thione?
The CAS number of 3H-1,3-oxazole-2-thione is 82358-02-9.
What is the molecular formula of 3H-1,3-oxazole-2-thione?
The molecular formula of 3H-1,3-oxazole-2-thione is C3H3NOS.
What is the molecular weight of 3H-1,3-oxazole-2-thione?
The molecular weight of 3H-1,3-oxazole-2-thione is 100.99 g/mol.
Where can I buy 3H-1,3-oxazole-2-thione?
You can request a quote for 3H-1,3-oxazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,3-oxazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,3-oxazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.