(6-Amino-benzothiazol-2-ylsulfanyl)-acetic acid
TL;DR: (6-Amino-benzothiazol-2-ylsulfanyl)-acetic acid (CAS 33775-94-9) is a chemical compound with molecular formula C9H8N2O2S2 and molecular weight 240.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetic acid
Also Known As: 2-Iodothioanisole, (6-Amino-benzothiazol-2-ylsulfanyl)-acetic acid, 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetic acid, 2-((6-Aminobenzo[d]thiazol-2-yl)thio)acetic acid, BAS 01854238
| Molecular Formula | C9H8N2O2S2 |
|---|---|
| Molecular Weight | 240.00 g/mol |
| LogP | 2.0552 |
| Topological Polar Surface Area | 76.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.00272 |
| Heavy Atoms | 15 |
| Complexity | 509.7817 |
Chemical Identifiers
| CAS Number | 33775-94-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1N)SC(=N2)SCC(=O)O |
Product Overview
(6-Amino-benzothiazol-2-ylsulfanyl)-acetic acid (CAS 33775-94-9), with molecular formula C9H8N2O2S2 and molecular weight 240.00 g/mol. IUPAC: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetic acid.
Chemical Property Profile of (6-Amino-benzothiazol-2-ylsulfanyl)-acetic acid
Property Insights of (6-Amino-benzothiazol-2-ylsulfanyl)-acetic acid
The XLogP value of 2.0552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Amino-benzothiazol-2-ylsulfanyl)-acetic acid. The TPSA of 76.21 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-Amino-benzothiazol-2-ylsulfanyl)-acetic acid. Following Lipinski's Rule of Five, (6-Amino-benzothiazol-2-ylsulfanyl)-acetic acid has 2 hydrogen bond donor(s) and 5 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 (6-Amino-benzothiazol-2-ylsulfanyl)-acetic acid?
The CAS number of (6-Amino-benzothiazol-2-ylsulfanyl)-acetic acid is 33775-94-9.
What is the molecular formula of (6-Amino-benzothiazol-2-ylsulfanyl)-acetic acid?
The molecular formula of (6-Amino-benzothiazol-2-ylsulfanyl)-acetic acid is C9H8N2O2S2.
What is the molecular weight of (6-Amino-benzothiazol-2-ylsulfanyl)-acetic acid?
The molecular weight of (6-Amino-benzothiazol-2-ylsulfanyl)-acetic acid is 240.00 g/mol.
Where can I buy (6-Amino-benzothiazol-2-ylsulfanyl)-acetic acid?
You can request a quote for (6-Amino-benzothiazol-2-ylsulfanyl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Amino-benzothiazol-2-ylsulfanyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (6-Amino-benzothiazol-2-ylsulfanyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.