3H-2,1-Benzothiaselenol-3-one
TL;DR: 3H-2,1-Benzothiaselenol-3-one (CAS 54996-54-2) is a chemical compound with molecular formula C7H4OSSe and molecular weight 215.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,1-benzothiaselenol-3-one
Also Known As: 2,1-benzothiaselenol-3-one, 3H-2,1-Benzothiaselenol-3-one, 1-Selena-2-thiaindan-3-one, Benzo[c][1,2]thiaselenol-3-on, J1.458.093J
| Molecular Formula | C7H4OSSe |
|---|---|
| Molecular Weight | 215.91 g/mol |
| LogP | 1.3185 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.91481 |
| Heavy Atoms | 10 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 54996-54-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)S[Se]2 |
| InChIKey | PIWUZCBYDAVRCL-UHFFFAOYSA-N |
Product Overview
3H-2,1-Benzothiaselenol-3-one (CAS 54996-54-2), with molecular formula C7H4OSSe and molecular weight 215.91 g/mol. IUPAC: 2,1-benzothiaselenol-3-one.
Chemical Property Profile of 3H-2,1-Benzothiaselenol-3-one
Property Insights of 3H-2,1-Benzothiaselenol-3-one
The XLogP value of 1.3185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-2,1-Benzothiaselenol-3-one. With a topological polar surface area (TPSA) of 42.4 Ų, 3H-2,1-Benzothiaselenol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-2,1-Benzothiaselenol-3-one 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
Frequently Asked Questions
What is the CAS number of 3H-2,1-Benzothiaselenol-3-one?
The CAS number of 3H-2,1-Benzothiaselenol-3-one is 54996-54-2.
What is the molecular formula of 3H-2,1-Benzothiaselenol-3-one?
The molecular formula of 3H-2,1-Benzothiaselenol-3-one is C7H4OSSe.
What is the molecular weight of 3H-2,1-Benzothiaselenol-3-one?
The molecular weight of 3H-2,1-Benzothiaselenol-3-one is 215.91 g/mol.
Where can I buy 3H-2,1-Benzothiaselenol-3-one?
You can request a quote for 3H-2,1-Benzothiaselenol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-2,1-Benzothiaselenol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 3H-2,1-Benzothiaselenol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.