![ethyl 2-[2-(butanethioylimino)-3-methyl-1,3-thiazol-4(3H)-yl]acetate structure](/static/products/3296/329698-59-1.webp)
ethyl 2-[2-(butanethioylimino)-3-methyl-1,3-thiazol-4(3H)-yl]acetate
TL;DR: ethyl 2-[2-(butanethioylimino)-3-methyl-1,3-thiazol-4(3H)-yl]acetate (CAS 329698-59-1) is a chemical compound with molecular formula C12H18N2O2S2 and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-butanethioylimino-3-methyl-1,3-thiazol-4-yl)acetate
Also Known As: ethyl 2-[2-(butanethioylimino)-3-methyl-1,3-thiazol-4(3H)-yl]acetate, ethyl 2-(2-butanethioylimino-3-methyl-1,3-thiazol-4-yl)acetate, ethyl 2-[(2Z)-2-(butanethioylimino)-3-methyl-2,3-dihydro-1,3-thiazol-4-yl]acetate, ethyl2-[(2Z)-2-(butanethioylimino)-3-methyl-2,3-dihydro-1,3-thiazol-4-yl]acetate
| Molecular Formula | C12H18N2O2S2 |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.08096 |
| Heavy Atoms | 18 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 329698-59-1 |
|---|---|
| SMILES | CCCC(=S)N=C1N(C(=CS1)CC(=O)OCC)C |
| InChIKey | SIUOVIHAUFGTHP-UHFFFAOYSA-N |
Product Overview
ethyl 2-[2-(butanethioylimino)-3-methyl-1,3-thiazol-4(3H)-yl]acetate (CAS 329698-59-1), with molecular formula C12H18N2O2S2 and molecular weight 286.08 g/mol. IUPAC: ethyl 2-(2-butanethioylimino-3-methyl-1,3-thiazol-4-yl)acetate.
Chemical Property Profile of ethyl 2-[2-(butanethioylimino)-3-methyl-1,3-thiazol-4(3H)-yl]acetate
Property Insights of ethyl 2-[2-(butanethioylimino)-3-methyl-1,3-thiazol-4(3H)-yl]acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[2-(butanethioylimino)-3-methyl-1,3-thiazol-4(3H)-yl]acetate. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[2-(butanethioylimino)-3-methyl-1,3-thiazol-4(3H)-yl]acetate. Following Lipinski's Rule of Five, ethyl 2-[2-(butanethioylimino)-3-methyl-1,3-thiazol-4(3H)-yl]acetate has 0 hydrogen bond donor(s) and 4 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 ethyl 2-[2-(butanethioylimino)-3-methyl-1,3-thiazol-4(3H)-yl]acetate?
The CAS number of ethyl 2-[2-(butanethioylimino)-3-methyl-1,3-thiazol-4(3H)-yl]acetate is 329698-59-1.
What is the molecular formula of ethyl 2-[2-(butanethioylimino)-3-methyl-1,3-thiazol-4(3H)-yl]acetate?
The molecular formula of ethyl 2-[2-(butanethioylimino)-3-methyl-1,3-thiazol-4(3H)-yl]acetate is C12H18N2O2S2.
What is the molecular weight of ethyl 2-[2-(butanethioylimino)-3-methyl-1,3-thiazol-4(3H)-yl]acetate?
The molecular weight of ethyl 2-[2-(butanethioylimino)-3-methyl-1,3-thiazol-4(3H)-yl]acetate is 286.08 g/mol.
Where can I buy ethyl 2-[2-(butanethioylimino)-3-methyl-1,3-thiazol-4(3H)-yl]acetate?
You can request a quote for ethyl 2-[2-(butanethioylimino)-3-methyl-1,3-thiazol-4(3H)-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[2-(butanethioylimino)-3-methyl-1,3-thiazol-4(3H)-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[2-(butanethioylimino)-3-methyl-1,3-thiazol-4(3H)-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.