![2,2-dimethyl-3H-benzo[e]1,3-oxazine-4-thione structure](/static/products/644/64402-57-9.png)
2,2-dimethyl-3H-benzo[e]1,3-oxazine-4-thione
TL;DR: 2,2-dimethyl-3H-benzo[e]1,3-oxazine-4-thione (CAS 64402-57-9) is a chemical compound with molecular formula C10H11NOS and molecular weight 193.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-3H-1,3-benzoxazine-4-thione
Also Known As: 2,2-dimethyl-4-thioxo-2,3-dihydro-1,3-benzoxazine, 2,2-dimethyl-3H-benzo[e]1,3-oxazine-4-thione, 9,9-dimethyl-10-oxa-8-azabicyclo[4.4.0]deca-1,3,5-triene-7-thione
| Molecular Formula | C10H11NOS |
|---|---|
| Molecular Weight | 193.06 g/mol |
| LogP | 2.0802 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.05614 |
| Heavy Atoms | 13 |
| Complexity | 359.6973 |
Chemical Identifiers
| CAS Number | 64402-57-9 |
|---|---|
| SMILES | CC1(NC(=S)C2=CC=CC=C2O1)C |
Product Overview
2,2-dimethyl-3H-benzo[e]1,3-oxazine-4-thione (CAS 64402-57-9), with molecular formula C10H11NOS and molecular weight 193.06 g/mol. IUPAC: 2,2-dimethyl-3H-1,3-benzoxazine-4-thione.
Chemical Property Profile of 2,2-dimethyl-3H-benzo[e]1,3-oxazine-4-thione
Property Insights of 2,2-dimethyl-3H-benzo[e]1,3-oxazine-4-thione
The XLogP value of 2.0802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-dimethyl-3H-benzo[e]1,3-oxazine-4-thione. With a topological polar surface area (TPSA) of 21.26 Ų, 2,2-dimethyl-3H-benzo[e]1,3-oxazine-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-dimethyl-3H-benzo[e]1,3-oxazine-4-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 2,2-dimethyl-3H-benzo[e]1,3-oxazine-4-thione?
The CAS number of 2,2-dimethyl-3H-benzo[e]1,3-oxazine-4-thione is 64402-57-9.
What is the molecular formula of 2,2-dimethyl-3H-benzo[e]1,3-oxazine-4-thione?
The molecular formula of 2,2-dimethyl-3H-benzo[e]1,3-oxazine-4-thione is C10H11NOS.
What is the molecular weight of 2,2-dimethyl-3H-benzo[e]1,3-oxazine-4-thione?
The molecular weight of 2,2-dimethyl-3H-benzo[e]1,3-oxazine-4-thione is 193.06 g/mol.
Where can I buy 2,2-dimethyl-3H-benzo[e]1,3-oxazine-4-thione?
You can request a quote for 2,2-dimethyl-3H-benzo[e]1,3-oxazine-4-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dimethyl-3H-benzo[e]1,3-oxazine-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-3H-benzo[e]1,3-oxazine-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.