5-Methyl-1,3-benzoselenazole-2-thiol
TL;DR: 5-Methyl-1,3-benzoselenazole-2-thiol (CAS 55489-80-0) is a chemical compound with molecular formula C8H7NSSe and molecular weight 228.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3H-1,3-benzoselenazole-2-thione
Also Known As: 2-Mercappto-5-methylbenzoselenazole, 5-methyl-1,3-benzoselenazole-2-thiol, 5-methylbenzo[d]1,3-selenazole-2-thiol, 5-methyl-3H-1,3-benzoselenazole-2-thione, 5-methyl-1,3-benzoselenazol-2-yl hydrosulfide
| Molecular Formula | C8H7NSSe |
|---|---|
| Molecular Weight | 228.95 g/mol |
| LogP | 2.26281 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.94644 |
| Heavy Atoms | 11 |
| Complexity | 440.53394 |
Chemical Identifiers
| CAS Number | 55489-80-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)[Se]C(=S)N2 |
Product Overview
5-Methyl-1,3-benzoselenazole-2-thiol (CAS 55489-80-0), with molecular formula C8H7NSSe and molecular weight 228.95 g/mol. IUPAC: 5-methyl-3H-1,3-benzoselenazole-2-thione.
Chemical Property Profile of 5-Methyl-1,3-benzoselenazole-2-thiol
Property Insights of 5-Methyl-1,3-benzoselenazole-2-thiol
The XLogP value of 2.26281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-1,3-benzoselenazole-2-thiol. With a topological polar surface area (TPSA) of 15.79 Ų, 5-Methyl-1,3-benzoselenazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-1,3-benzoselenazole-2-thiol has 1 hydrogen bond donor(s) and 1 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-Methyl-1,3-benzoselenazole-2-thiol?
The CAS number of 5-Methyl-1,3-benzoselenazole-2-thiol is 55489-80-0.
What is the molecular formula of 5-Methyl-1,3-benzoselenazole-2-thiol?
The molecular formula of 5-Methyl-1,3-benzoselenazole-2-thiol is C8H7NSSe.
What is the molecular weight of 5-Methyl-1,3-benzoselenazole-2-thiol?
The molecular weight of 5-Methyl-1,3-benzoselenazole-2-thiol is 228.95 g/mol.
Where can I buy 5-Methyl-1,3-benzoselenazole-2-thiol?
You can request a quote for 5-Methyl-1,3-benzoselenazole-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-Methyl-1,3-benzoselenazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1,3-benzoselenazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.