2-Benzothiazoleselenol
TL;DR: 2-Benzothiazoleselenol (CAS 10200-72-3) is a chemical compound with molecular formula C7H4NSSe and molecular weight 213.92297 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Also Known As: 2-Benzothiazoleselenol, benzothiazole-2-selenone, 2-selanylbenzothiazole, 2-Benzothiazolineselenone, 2(3H)-Benzothiazoleselone
Technical Specifications
| Molecular Formula | C7H4NSSe |
| Molecular Weight | 213.92297 g/mol |
| XLogP | 1.0901 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.92297 Da |
| Heavy Atoms | 10 |
| Complexity | 131.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)[Se] |
| InChIKey | AUQZSIHTBGOSQB-UHFFFAOYSA-N |
Chemical Property Profile of 2-Benzothiazoleselenol
Property Insights of 2-Benzothiazoleselenol
The XLogP value of 1.0901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzothiazoleselenol. With a topological polar surface area (TPSA) of 41.1 Ų, 2-Benzothiazoleselenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzothiazoleselenol has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Benzothiazoleselenol?
The CAS number of 2-Benzothiazoleselenol is 10200-72-3.
What is the molecular formula of 2-Benzothiazoleselenol?
The molecular formula of 2-Benzothiazoleselenol is C7H4NSSe.
What is the molecular weight of 2-Benzothiazoleselenol?
The molecular weight of 2-Benzothiazoleselenol is 213.92297 g/mol.
Where can I buy 2-Benzothiazoleselenol?
You can request a quote for 2-Benzothiazoleselenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Benzothiazoleselenol?
Yes, CoreyChem provides custom synthesis services for 2-Benzothiazoleselenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.