1,3-Benzothiazole-2-thiolate
TL;DR: 1,3-Benzothiazole-2-thiolate (CAS 45769-89-9) is a chemical compound with molecular formula C7H4NS2- and molecular weight 165.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazole-2-thiolate
Also Known As: 2-Benzothiazolethiolate, benzo[d]thiazole-2-thiolate, 1,3-benzothiazole-2-thiolate
| Molecular Formula | C7H4NS2- |
|---|---|
| Molecular Weight | 165.98 g/mol |
| LogP | 2.2021 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.97852 |
| Heavy Atoms | 10 |
| Complexity | 320.1336 |
Chemical Identifiers
| CAS Number | 45769-89-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)[S-] |
Product Overview
1,3-Benzothiazole-2-thiolate (CAS 45769-89-9), with molecular formula C7H4NS2- and molecular weight 165.98 g/mol. IUPAC: 1,3-benzothiazole-2-thiolate.
Chemical Property Profile of 1,3-Benzothiazole-2-thiolate
Property Insights of 1,3-Benzothiazole-2-thiolate
The XLogP value of 2.2021 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzothiazole-2-thiolate. With a topological polar surface area (TPSA) of 12.89 Ų, 1,3-Benzothiazole-2-thiolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzothiazole-2-thiolate has 0 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 1,3-Benzothiazole-2-thiolate?
The CAS number of 1,3-Benzothiazole-2-thiolate is 45769-89-9.
What is the molecular formula of 1,3-Benzothiazole-2-thiolate?
The molecular formula of 1,3-Benzothiazole-2-thiolate is C7H4NS2-.
What is the molecular weight of 1,3-Benzothiazole-2-thiolate?
The molecular weight of 1,3-Benzothiazole-2-thiolate is 165.98 g/mol.
Where can I buy 1,3-Benzothiazole-2-thiolate?
You can request a quote for 1,3-Benzothiazole-2-thiolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzothiazole-2-thiolate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzothiazole-2-thiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.