2H-1,4-benzoxazine-3(4H)-thione
TL;DR: 2H-1,4-benzoxazine-3(4H)-thione (CAS 14183-51-8) is a chemical compound with molecular formula C8H7NOS and molecular weight 165.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4H-1,4-benzoxazine-3-thione
Also Known As: 2H-1,4-benzoxazine-3(4H)-thione, 4H-1,4-benzoxazine-3-thione, 2H-Benzo[b][1,4]oxazine-3(4H)-thione, 4H-Benzo[1,4]oxazine-3-thione, 2,4-dihydro-1,4-benzoxazine-3-thione
| Molecular Formula | C8H7NOS |
|---|---|
| Molecular Weight | 165.02 g/mol |
| LogP | 1.8183 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.02484 |
| Heavy Atoms | 11 |
| Complexity | 297.89847 |
Chemical Identifiers
| CAS Number | 14183-51-8 |
|---|---|
| SMILES | C1C(=S)NC2=CC=CC=C2O1 |
Product Overview
2H-1,4-benzoxazine-3(4H)-thione (CAS 14183-51-8), with molecular formula C8H7NOS and molecular weight 165.02 g/mol. IUPAC: 4H-1,4-benzoxazine-3-thione.
Chemical Property Profile of 2H-1,4-benzoxazine-3(4H)-thione
Property Insights of 2H-1,4-benzoxazine-3(4H)-thione
The XLogP value of 1.8183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-benzoxazine-3(4H)-thione. With a topological polar surface area (TPSA) of 21.26 Ų, 2H-1,4-benzoxazine-3(4H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-benzoxazine-3(4H)-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 2H-1,4-benzoxazine-3(4H)-thione?
The CAS number of 2H-1,4-benzoxazine-3(4H)-thione is 14183-51-8.
What is the molecular formula of 2H-1,4-benzoxazine-3(4H)-thione?
The molecular formula of 2H-1,4-benzoxazine-3(4H)-thione is C8H7NOS.
What is the molecular weight of 2H-1,4-benzoxazine-3(4H)-thione?
The molecular weight of 2H-1,4-benzoxazine-3(4H)-thione is 165.02 g/mol.
Where can I buy 2H-1,4-benzoxazine-3(4H)-thione?
You can request a quote for 2H-1,4-benzoxazine-3(4H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-benzoxazine-3(4H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-benzoxazine-3(4H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.