(Z)-methyl 2-(2-imino-4-oxothiazolidin-5-ylidene)acetate
TL;DR: (Z)-methyl 2-(2-imino-4-oxothiazolidin-5-ylidene)acetate (CAS 879894-29-8) is a chemical compound with molecular formula C6H6N2O3S and molecular weight 186.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-(2-amino-4-oxo-1,3-thiazol-5-ylidene)acetate
Also Known As: IDI1_010826, (Z)-methyl 2-(2-imino-4-oxothiazolidin-5-ylidene)acetate, (Z)-methyl 2-(2-amino-4-oxothiazol-5(4H)-ylidene)acetate, methyl (2Z)-2-(2-amino-4-oxo-1,3-thiazol-5-ylidene)acetate, [2-Amino-4-oxo-4H-thiazol-(5Z)-ylidene]-acetic acid methyl ester
| Molecular Formula | C6H6N2O3S |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | -0.3686 |
| Topological Polar Surface Area | 81.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.00992 |
| Heavy Atoms | 12 |
| Complexity | 295.16833 |
Chemical Identifiers
| CAS Number | 879894-29-8 |
|---|---|
| SMILES | COC(=O)/C=C\1/C(=O)N=C(S1)N |
Product Overview
(Z)-methyl 2-(2-imino-4-oxothiazolidin-5-ylidene)acetate (CAS 879894-29-8), with molecular formula C6H6N2O3S and molecular weight 186.01 g/mol. IUPAC: methyl (2Z)-2-(2-amino-4-oxo-1,3-thiazol-5-ylidene)acetate.
Chemical Property Profile of (Z)-methyl 2-(2-imino-4-oxothiazolidin-5-ylidene)acetate
Property Insights of (Z)-methyl 2-(2-imino-4-oxothiazolidin-5-ylidene)acetate
The XLogP value of -0.3686 indicates that (Z)-methyl 2-(2-imino-4-oxothiazolidin-5-ylidene)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 2-(2-imino-4-oxothiazolidin-5-ylidene)acetate. Following Lipinski's Rule of Five, (Z)-methyl 2-(2-imino-4-oxothiazolidin-5-ylidene)acetate 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 (Z)-methyl 2-(2-imino-4-oxothiazolidin-5-ylidene)acetate?
The CAS number of (Z)-methyl 2-(2-imino-4-oxothiazolidin-5-ylidene)acetate is 879894-29-8.
What is the molecular formula of (Z)-methyl 2-(2-imino-4-oxothiazolidin-5-ylidene)acetate?
The molecular formula of (Z)-methyl 2-(2-imino-4-oxothiazolidin-5-ylidene)acetate is C6H6N2O3S.
What is the molecular weight of (Z)-methyl 2-(2-imino-4-oxothiazolidin-5-ylidene)acetate?
The molecular weight of (Z)-methyl 2-(2-imino-4-oxothiazolidin-5-ylidene)acetate is 186.01 g/mol.
Where can I buy (Z)-methyl 2-(2-imino-4-oxothiazolidin-5-ylidene)acetate?
You can request a quote for (Z)-methyl 2-(2-imino-4-oxothiazolidin-5-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 2-(2-imino-4-oxothiazolidin-5-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 2-(2-imino-4-oxothiazolidin-5-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.