(Benzothiazol-2-ylthio)succinic acid
TL;DR: (Benzothiazol-2-ylthio)succinic acid (CAS 651032-78-9) is a chemical compound with molecular formula C11H11NO4S2 and molecular weight 285.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid
Also Known As: (Benzothiazol-2-ylthio)succinic acid, Butanedioic acid, (2-benzothiazolylthio)-, 1-(Benzothiazol-2-ylthio) succinic acid, Butanedioic acid, 2-(2-benzothiazolylthio)-, EC 401-450-4
| Molecular Formula | C11H11NO4S2 |
|---|---|
| Molecular Weight | 285.01 g/mol |
| LogP | 2.0605 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.01294 |
| Heavy Atoms | 18 |
| Complexity | 505.81662 |
Chemical Identifiers
| CAS Number | 651032-78-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1[C@@H](CC(=O)O)C(=O)O)N[C@@H](S2)S |
Product Overview
(Benzothiazol-2-ylthio)succinic acid (CAS 651032-78-9), with molecular formula C11H11NO4S2 and molecular weight 285.01 g/mol. IUPAC: (2R)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid.
Chemical Property Profile of (Benzothiazol-2-ylthio)succinic acid
Property Insights of (Benzothiazol-2-ylthio)succinic acid
The XLogP value of 2.0605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Benzothiazol-2-ylthio)succinic acid. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (Benzothiazol-2-ylthio)succinic acid. Following Lipinski's Rule of Five, (Benzothiazol-2-ylthio)succinic acid has 4 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 (Benzothiazol-2-ylthio)succinic acid?
The CAS number of (Benzothiazol-2-ylthio)succinic acid is 651032-78-9.
What is the molecular formula of (Benzothiazol-2-ylthio)succinic acid?
The molecular formula of (Benzothiazol-2-ylthio)succinic acid is C11H11NO4S2.
What is the molecular weight of (Benzothiazol-2-ylthio)succinic acid?
The molecular weight of (Benzothiazol-2-ylthio)succinic acid is 285.01 g/mol.
Where can I buy (Benzothiazol-2-ylthio)succinic acid?
You can request a quote for (Benzothiazol-2-ylthio)succinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Benzothiazol-2-ylthio)succinic acid?
Yes, KEHONG BIO provides custom synthesis services for (Benzothiazol-2-ylthio)succinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.