2-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-1,3-benzoxazine-4-thione
TL;DR: 2-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-1,3-benzoxazine-4-thione (CAS 831184-10-2) is a chemical compound with molecular formula C15H15NOS and molecular weight 257.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylphenyl)-5,6,7,8-tetrahydro-1,3-benzoxazine-4-thione
Also Known As: 2-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-1,3-benzoxazine-4-thione, 2-(3-methylphenyl)-5,6,7,8-tetrahydro-1,3-benzoxazine-4-thione, 2-(m-tolyl)-5,6,7,8-tetrahydro-4H-benzo[e][1,3]oxazine-4-thione, 2-(3-methylphenyl)-5,6,7,8-tetrahydrobenzo[1,2-e]1,3-oxazine-4-thione, 2-(m-tolyl)-1-oxa-3-aza-5,6,7,8-tetrahydro-4H-naphthalene-4-thione
| Molecular Formula | C15H15NOS |
|---|---|
| Molecular Weight | 257.09 g/mol |
| LogP | 4.25831 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.08743 |
| Heavy Atoms | 18 |
| Complexity | 645.1821 |
Chemical Identifiers
| CAS Number | 831184-10-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NC(=S)C3=C(O2)CCCC3 |
Product Overview
2-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-1,3-benzoxazine-4-thione (CAS 831184-10-2), with molecular formula C15H15NOS and molecular weight 257.09 g/mol. IUPAC: 2-(3-methylphenyl)-5,6,7,8-tetrahydro-1,3-benzoxazine-4-thione.
Chemical Property Profile of 2-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-1,3-benzoxazine-4-thione
Property Insights of 2-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-1,3-benzoxazine-4-thione
The XLogP value of 4.25831 indicates that 2-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-1,3-benzoxazine-4-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.03 Ų, 2-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-1,3-benzoxazine-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-1,3-benzoxazine-4-thione 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 2-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-1,3-benzoxazine-4-thione?
The CAS number of 2-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-1,3-benzoxazine-4-thione is 831184-10-2.
What is the molecular formula of 2-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-1,3-benzoxazine-4-thione?
The molecular formula of 2-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-1,3-benzoxazine-4-thione is C15H15NOS.
What is the molecular weight of 2-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-1,3-benzoxazine-4-thione?
The molecular weight of 2-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-1,3-benzoxazine-4-thione is 257.09 g/mol.
Where can I buy 2-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-1,3-benzoxazine-4-thione?
You can request a quote for 2-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-1,3-benzoxazine-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-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-1,3-benzoxazine-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-1,3-benzoxazine-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.