![[(1,3-Benzothiazol-2-ylmethyl)thio]acetic acid structure](/static/products/991/99184-85-7.png)
[(1,3-Benzothiazol-2-ylmethyl)thio]acetic acid
TL;DR: [(1,3-Benzothiazol-2-ylmethyl)thio]acetic acid (CAS 99184-85-7) is a chemical compound with molecular formula C10H9NO2S2 and molecular weight 239.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetic acid
Also Known As: [(1,3-benzothiazol-2-ylmethyl)thio]acetic acid|Oprea1_352246|2-(benzothiazol-2-ylmethylsulfanyl)acetate|2-((benzo[d]thiazol-2-ylmethyl)thio)acetic acid|2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetic acid|2-(benzothiazol-2-ylmethylthio)acetic acid|2-{[(1,3-benzothiazol-2-yl)methyl]sulfanyl}acetic acid|[(1,3-benzothiazol-2-ylmethyl)sulfanyl]acetic acid|[(1,3-benzothiazol-2-yl)methylthio]acetic acid|2-((benzo[d]thiazol-2-ylmethyl)thio)aceticacid|2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetate|2-[(1,3-benzothiazol-2-ylmethyl)sulfanyl]acetic acid|Acetic acid, 2-[(2-benzothiazolylmethyl)thio]-|(1,3-BENZOTHIAZOL-2-YLMETHYL)THIO]ACETIC ACID|MLS000078974|SMSSF-0044099|SMR000039563|EN300-07629
| Molecular Formula | C10H9NO2S2 |
|---|---|
| Molecular Weight | 239.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.00748 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 99184-85-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)CSCC(=O)O |
| InChIKey | AVOKVWUHYIHZBD-UHFFFAOYSA-N |
Product Overview
[(1,3-Benzothiazol-2-ylmethyl)thio]acetic acid (CAS 99184-85-7), with molecular formula C10H9NO2S2 and molecular weight 239.01 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetic acid.
Chemical Property Profile of [(1,3-Benzothiazol-2-ylmethyl)thio]acetic acid
Property Insights of [(1,3-Benzothiazol-2-ylmethyl)thio]acetic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1,3-Benzothiazol-2-ylmethyl)thio]acetic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1,3-Benzothiazol-2-ylmethyl)thio]acetic acid. Following Lipinski's Rule of Five, [(1,3-Benzothiazol-2-ylmethyl)thio]acetic acid has 1 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 [(1,3-Benzothiazol-2-ylmethyl)thio]acetic acid?
The CAS number of [(1,3-Benzothiazol-2-ylmethyl)thio]acetic acid is 99184-85-7.
What is the molecular formula of [(1,3-Benzothiazol-2-ylmethyl)thio]acetic acid?
The molecular formula of [(1,3-Benzothiazol-2-ylmethyl)thio]acetic acid is C10H9NO2S2.
What is the molecular weight of [(1,3-Benzothiazol-2-ylmethyl)thio]acetic acid?
The molecular weight of [(1,3-Benzothiazol-2-ylmethyl)thio]acetic acid is 239.01 g/mol.
Where can I buy [(1,3-Benzothiazol-2-ylmethyl)thio]acetic acid?
You can request a quote for [(1,3-Benzothiazol-2-ylmethyl)thio]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1,3-Benzothiazol-2-ylmethyl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(1,3-Benzothiazol-2-ylmethyl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.