![[1]Benzothieno[2,3-d]thiazole-2(3H)-thione structure](/static/products/5845/58457-25-3.webp)
[1]Benzothieno[2,3-d]thiazole-2(3H)-thione
TL;DR: [1]Benzothieno[2,3-d]thiazole-2(3H)-thione (CAS 58457-25-3) is a chemical compound with molecular formula C9H5NS3 and molecular weight 222.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3H-[1]benzothiolo[2,3-d][1,3]thiazole-2-thione
Also Known As: [1]Benzothieno[2,3-d]thiazole-2(3H)-thione|3H-[1]benzothiolo[2,3-d][1,3]thiazole-2-thione|2-mercaptobenzo[4,5]thieno[2,3-d]thiazole|(1)Benzothieno(2,3-d)thiazole-2(3H)-thione|[1]benzothieno[2,3-d][1,3]thiazol-2-yl hydrosulfide|AH-034/11366153|AH-034/11963475|[1]Benzothieno[2,3-d][1,3]thiazole-2(3H)-thione|RefChem:203889
| Molecular Formula | C9H5NS3 |
|---|---|
| Molecular Weight | 222.96 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 222.95842 |
| Heavy Atoms | 13 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 58457-25-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(S2)NC(=S)S3 |
| InChIKey | JIGOAXBZURGCTJ-UHFFFAOYSA-N |
Product Overview
[1]Benzothieno[2,3-d]thiazole-2(3H)-thione (CAS 58457-25-3), with molecular formula C9H5NS3 and molecular weight 222.96 g/mol. IUPAC: 3H-[1]benzothiolo[2,3-d][1,3]thiazole-2-thione.
Chemical Property Profile of [1]Benzothieno[2,3-d]thiazole-2(3H)-thione
Property Insights of [1]Benzothieno[2,3-d]thiazole-2(3H)-thione
The XLogP value of 3.6 indicates that [1]Benzothieno[2,3-d]thiazole-2(3H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [1]Benzothieno[2,3-d]thiazole-2(3H)-thione. Following Lipinski's Rule of Five, [1]Benzothieno[2,3-d]thiazole-2(3H)-thione has 1 hydrogen bond donor(s) and 3 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 [1]Benzothieno[2,3-d]thiazole-2(3H)-thione?
The CAS number of [1]Benzothieno[2,3-d]thiazole-2(3H)-thione is 58457-25-3.
What is the molecular formula of [1]Benzothieno[2,3-d]thiazole-2(3H)-thione?
The molecular formula of [1]Benzothieno[2,3-d]thiazole-2(3H)-thione is C9H5NS3.
What is the molecular weight of [1]Benzothieno[2,3-d]thiazole-2(3H)-thione?
The molecular weight of [1]Benzothieno[2,3-d]thiazole-2(3H)-thione is 222.96 g/mol.
Where can I buy [1]Benzothieno[2,3-d]thiazole-2(3H)-thione?
You can request a quote for [1]Benzothieno[2,3-d]thiazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1]Benzothieno[2,3-d]thiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for [1]Benzothieno[2,3-d]thiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.