![Diethyl 2-[(1,3,4-thiadiazol-2-ylamino)methylidene]propanedioate structure](/static/products/6124/6124-11-4.webp)
Diethyl 2-[(1,3,4-thiadiazol-2-ylamino)methylidene]propanedioate
TL;DR: Diethyl 2-[(1,3,4-thiadiazol-2-ylamino)methylidene]propanedioate (CAS 6124-11-4) is a chemical compound with molecular formula C10H13N3O4S and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(1,3,4-thiadiazol-2-ylamino)methylidene]propanedioate
Also Known As: Diethyl 2-[(1,3,4-thiadiazol-2-ylamino)methylidene]propanedioate, 1,3-diethyl 2-{[(1,3,4-thiadiazol-2-yl)amino]methylidene}propanedioate, DIETHYL 2-((2,4,5-THIADIAZOLYLAMINO)METHYLENE)PROPANE-1,3-DIOATE, diethyl N-(1,3,4-thiadiazol-2-yl)-aminomethylenemalonate, diethyl 2-[(1,3,4-thiadiazol-2-ylamino)methylene]propanedioate
| Molecular Formula | C10H13N3O4S |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 0.9601 |
| Topological Polar Surface Area | 90.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.06268 |
| Heavy Atoms | 18 |
| Complexity | 410.341 |
Chemical Identifiers
| CAS Number | 6124-11-4 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=NN=CS1)C(=O)OCC |
Product Overview
Diethyl 2-[(1,3,4-thiadiazol-2-ylamino)methylidene]propanedioate (CAS 6124-11-4), with molecular formula C10H13N3O4S and molecular weight 271.06 g/mol. IUPAC: diethyl 2-[(1,3,4-thiadiazol-2-ylamino)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-[(1,3,4-thiadiazol-2-ylamino)methylidene]propanedioate
Property Insights of Diethyl 2-[(1,3,4-thiadiazol-2-ylamino)methylidene]propanedioate
The XLogP value of 0.9601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-[(1,3,4-thiadiazol-2-ylamino)methylidene]propanedioate. The TPSA of 90.41 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[(1,3,4-thiadiazol-2-ylamino)methylidene]propanedioate. Following Lipinski's Rule of Five, Diethyl 2-[(1,3,4-thiadiazol-2-ylamino)methylidene]propanedioate has 1 hydrogen bond donor(s) and 8 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 Diethyl 2-[(1,3,4-thiadiazol-2-ylamino)methylidene]propanedioate?
The CAS number of Diethyl 2-[(1,3,4-thiadiazol-2-ylamino)methylidene]propanedioate is 6124-11-4.
What is the molecular formula of Diethyl 2-[(1,3,4-thiadiazol-2-ylamino)methylidene]propanedioate?
The molecular formula of Diethyl 2-[(1,3,4-thiadiazol-2-ylamino)methylidene]propanedioate is C10H13N3O4S.
What is the molecular weight of Diethyl 2-[(1,3,4-thiadiazol-2-ylamino)methylidene]propanedioate?
The molecular weight of Diethyl 2-[(1,3,4-thiadiazol-2-ylamino)methylidene]propanedioate is 271.06 g/mol.
Where can I buy Diethyl 2-[(1,3,4-thiadiazol-2-ylamino)methylidene]propanedioate?
You can request a quote for Diethyl 2-[(1,3,4-thiadiazol-2-ylamino)methylidene]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-[(1,3,4-thiadiazol-2-ylamino)methylidene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[(1,3,4-thiadiazol-2-ylamino)methylidene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.