6-methyl-2H-1,4-benzoxazine-3(4H)-thione
TL;DR: 6-methyl-2H-1,4-benzoxazine-3(4H)-thione (CAS 81836-85-3) is a chemical compound with molecular formula C9H9NOS and molecular weight 179.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-4H-1,4-benzoxazine-3-thione
Also Known As: 6-methyl-4H-1,4-benzoxazine-3-thione, 6-methyl-2H-1,4-benzoxazine-3(4H)-thione, 6-Methyl-4H-benzo[1,4]oxazine-3-thione, BB 0242267, 3-methyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-triene-9-thione
| Molecular Formula | C9H9NOS |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | 2.12672 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.04048 |
| Heavy Atoms | 12 |
| Complexity | 335.30048 |
Chemical Identifiers
| CAS Number | 81836-85-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OCC(=S)N2 |
Product Overview
6-methyl-2H-1,4-benzoxazine-3(4H)-thione (CAS 81836-85-3), with molecular formula C9H9NOS and molecular weight 179.04 g/mol. IUPAC: 6-methyl-4H-1,4-benzoxazine-3-thione.
Chemical Property Profile of 6-methyl-2H-1,4-benzoxazine-3(4H)-thione
Property Insights of 6-methyl-2H-1,4-benzoxazine-3(4H)-thione
The XLogP value of 2.12672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methyl-2H-1,4-benzoxazine-3(4H)-thione. With a topological polar surface area (TPSA) of 21.26 Ų, 6-methyl-2H-1,4-benzoxazine-3(4H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-methyl-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 6-methyl-2H-1,4-benzoxazine-3(4H)-thione?
The CAS number of 6-methyl-2H-1,4-benzoxazine-3(4H)-thione is 81836-85-3.
What is the molecular formula of 6-methyl-2H-1,4-benzoxazine-3(4H)-thione?
The molecular formula of 6-methyl-2H-1,4-benzoxazine-3(4H)-thione is C9H9NOS.
What is the molecular weight of 6-methyl-2H-1,4-benzoxazine-3(4H)-thione?
The molecular weight of 6-methyl-2H-1,4-benzoxazine-3(4H)-thione is 179.04 g/mol.
Where can I buy 6-methyl-2H-1,4-benzoxazine-3(4H)-thione?
You can request a quote for 6-methyl-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 6-methyl-2H-1,4-benzoxazine-3(4H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-2H-1,4-benzoxazine-3(4H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.