6-Methyl-1,3-benzoxazole-2-thiol
TL;DR: 6-Methyl-1,3-benzoxazole-2-thiol (CAS 23417-29-0) 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.
6-methyl-3H-1,3-benzoxazole-2-thione
Also Known As: 6-METHYL-1,3-BENZOXAZOLE-2-THIOL, 6-Methylbenzoxazole-2-thiol, 6-Methylbenzoxazole-2(3H)-thione, 6-methyl-1,3-benzoxazole-2(3H)-thione, 6-methyl-3H-1,3-benzoxazole-2-thione
| Molecular Formula | C8H7NOS |
|---|---|
| Molecular Weight | 165.02 g/mol |
| LogP | 2.79881 |
| Topological Polar Surface Area | 28.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.02484 |
| Heavy Atoms | 11 |
| Complexity | 440.53394 |
Chemical Identifiers
| CAS Number | 23417-29-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=S)O2 |
Product Overview
6-Methyl-1,3-benzoxazole-2-thiol (CAS 23417-29-0), with molecular formula C8H7NOS and molecular weight 165.02 g/mol. IUPAC: 6-methyl-3H-1,3-benzoxazole-2-thione.
Chemical Property Profile of 6-Methyl-1,3-benzoxazole-2-thiol
Property Insights of 6-Methyl-1,3-benzoxazole-2-thiol
The XLogP value of 2.79881 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-1,3-benzoxazole-2-thiol. With a topological polar surface area (TPSA) of 28.93 Ų, 6-Methyl-1,3-benzoxazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-1,3-benzoxazole-2-thiol 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-1,3-benzoxazole-2-thiol?
The CAS number of 6-Methyl-1,3-benzoxazole-2-thiol is 23417-29-0.
What is the molecular formula of 6-Methyl-1,3-benzoxazole-2-thiol?
The molecular formula of 6-Methyl-1,3-benzoxazole-2-thiol is C8H7NOS.
What is the molecular weight of 6-Methyl-1,3-benzoxazole-2-thiol?
The molecular weight of 6-Methyl-1,3-benzoxazole-2-thiol is 165.02 g/mol.
Where can I buy 6-Methyl-1,3-benzoxazole-2-thiol?
You can request a quote for 6-Methyl-1,3-benzoxazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-1,3-benzoxazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-1,3-benzoxazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.