![2-((3-(Benzo[d]thiazol-2(3H)-ylidene)-3-cyano-2-oxopropyl)thio)acetic acid structure](/static/products/380/380342-15-4.png)
2-((3-(Benzo[d]thiazol-2(3H)-ylidene)-3-cyano-2-oxopropyl)thio)acetic acid
TL;DR: 2-((3-(Benzo[d]thiazol-2(3H)-ylidene)-3-cyano-2-oxopropyl)thio)acetic acid (CAS 380342-15-4) is a chemical compound with molecular formula C13H10N2O3S2 and molecular weight 306.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1,3-benzothiazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl]sulfanylacetic acid
Also Known As: {[(3E)-3-(1,3-benzothiazol-2(3H)-ylidene)-3-cyano-2-oxopropyl]thio}acetic acid, 2-((3-(Benzo[d]thiazol-2(3H)-ylidene)-3-cyano-2-oxopropyl)thio)acetic acid
| Molecular Formula | C13H10N2O3S2 |
|---|---|
| Molecular Weight | 306.01 g/mol |
| LogP | 2.90678 |
| Topological Polar Surface Area | 94.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.01328 |
| Heavy Atoms | 20 |
| Complexity | 682.7197 |
Chemical Identifiers
| CAS Number | 380342-15-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C(=C(CSCC(=O)O)O)C#N |
Product Overview
2-((3-(Benzo[d]thiazol-2(3H)-ylidene)-3-cyano-2-oxopropyl)thio)acetic acid (CAS 380342-15-4), with molecular formula C13H10N2O3S2 and molecular weight 306.01 g/mol. IUPAC: 2-[3-(1,3-benzothiazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl]sulfanylacetic acid.
Chemical Property Profile of 2-((3-(Benzo[d]thiazol-2(3H)-ylidene)-3-cyano-2-oxopropyl)thio)acetic acid
Property Insights of 2-((3-(Benzo[d]thiazol-2(3H)-ylidene)-3-cyano-2-oxopropyl)thio)acetic acid
The XLogP value of 2.90678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3-(Benzo[d]thiazol-2(3H)-ylidene)-3-cyano-2-oxopropyl)thio)acetic acid. The TPSA of 94.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-(Benzo[d]thiazol-2(3H)-ylidene)-3-cyano-2-oxopropyl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((3-(Benzo[d]thiazol-2(3H)-ylidene)-3-cyano-2-oxopropyl)thio)acetic acid has 2 hydrogen bond donor(s) and 6 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 2-((3-(Benzo[d]thiazol-2(3H)-ylidene)-3-cyano-2-oxopropyl)thio)acetic acid?
The CAS number of 2-((3-(Benzo[d]thiazol-2(3H)-ylidene)-3-cyano-2-oxopropyl)thio)acetic acid is 380342-15-4.
What is the molecular formula of 2-((3-(Benzo[d]thiazol-2(3H)-ylidene)-3-cyano-2-oxopropyl)thio)acetic acid?
The molecular formula of 2-((3-(Benzo[d]thiazol-2(3H)-ylidene)-3-cyano-2-oxopropyl)thio)acetic acid is C13H10N2O3S2.
What is the molecular weight of 2-((3-(Benzo[d]thiazol-2(3H)-ylidene)-3-cyano-2-oxopropyl)thio)acetic acid?
The molecular weight of 2-((3-(Benzo[d]thiazol-2(3H)-ylidene)-3-cyano-2-oxopropyl)thio)acetic acid is 306.01 g/mol.
Where can I buy 2-((3-(Benzo[d]thiazol-2(3H)-ylidene)-3-cyano-2-oxopropyl)thio)acetic acid?
You can request a quote for 2-((3-(Benzo[d]thiazol-2(3H)-ylidene)-3-cyano-2-oxopropyl)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 2-((3-(Benzo[d]thiazol-2(3H)-ylidene)-3-cyano-2-oxopropyl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(Benzo[d]thiazol-2(3H)-ylidene)-3-cyano-2-oxopropyl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.