5,7-Dichloro-6-methyl-1,3-benzoxazole-2-thiol
TL;DR: 5,7-Dichloro-6-methyl-1,3-benzoxazole-2-thiol (CAS 199293-12-4) is a chemical compound with molecular formula C8H5Cl2NOS and molecular weight 232.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dichloro-6-methyl-3H-1,3-benzoxazole-2-thione
Also Known As: 5,7-dichloro-6-methyl-1,3-benzoxazole-2-thiol, 5,7-Dichloro-6-methylbenzo[d]oxazole-2-thiol, 2-benzoxazolethiol, 5,7-dichloro-6-methyl-, 5,7-dichloro-2-mercapto-6-methylbenzoxazole, 5,7-dichloro-6-methyl-3H-1,3-benzoxazole-2-thione
| Molecular Formula | C8H5Cl2NOS |
|---|---|
| Molecular Weight | 232.95 g/mol |
| LogP | 4.10561 |
| Topological Polar Surface Area | 28.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.94688 |
| Heavy Atoms | 13 |
| Complexity | 528.65894 |
Chemical Identifiers
| CAS Number | 199293-12-4 |
|---|---|
| SMILES | CC1=C(C=C2C(=C1Cl)OC(=S)N2)Cl |
Product Overview
5,7-Dichloro-6-methyl-1,3-benzoxazole-2-thiol (CAS 199293-12-4), with molecular formula C8H5Cl2NOS and molecular weight 232.95 g/mol. IUPAC: 5,7-dichloro-6-methyl-3H-1,3-benzoxazole-2-thione.
Chemical Property Profile of 5,7-Dichloro-6-methyl-1,3-benzoxazole-2-thiol
Property Insights of 5,7-Dichloro-6-methyl-1,3-benzoxazole-2-thiol
The XLogP value of 4.10561 indicates that 5,7-Dichloro-6-methyl-1,3-benzoxazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.93 Ų, 5,7-Dichloro-6-methyl-1,3-benzoxazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-Dichloro-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 5,7-Dichloro-6-methyl-1,3-benzoxazole-2-thiol?
The CAS number of 5,7-Dichloro-6-methyl-1,3-benzoxazole-2-thiol is 199293-12-4.
What is the molecular formula of 5,7-Dichloro-6-methyl-1,3-benzoxazole-2-thiol?
The molecular formula of 5,7-Dichloro-6-methyl-1,3-benzoxazole-2-thiol is C8H5Cl2NOS.
What is the molecular weight of 5,7-Dichloro-6-methyl-1,3-benzoxazole-2-thiol?
The molecular weight of 5,7-Dichloro-6-methyl-1,3-benzoxazole-2-thiol is 232.95 g/mol.
Where can I buy 5,7-Dichloro-6-methyl-1,3-benzoxazole-2-thiol?
You can request a quote for 5,7-Dichloro-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 5,7-Dichloro-6-methyl-1,3-benzoxazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dichloro-6-methyl-1,3-benzoxazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.