2-(tert-butylamino)-2-oxoethyl N'-cyano-N-propan-2-ylcarbamimidothioate
TL;DR: 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-propan-2-ylcarbamimidothioate (CAS 445385-83-1) is a chemical compound with molecular formula C11H20N4OS and molecular weight 256.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(tert-butylamino)-2-oxoethyl] N-cyano-N'-propan-2-ylcarbamimidothioate
Also Known As: 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-propan-2-ylcarbamimidothioate, (Z)-2-(tert-butylamino)-2-oxoethyl N'-cyano-N-isopropylcarbamimidothioate, [2-(tert-butylamino)-2-oxoethyl] N-cyano-N'-propan-2-ylcarbamimidothioate
| Molecular Formula | C11H20N4OS |
|---|---|
| Molecular Weight | 256.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.13577 |
| Heavy Atoms | 17 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 445385-83-1 |
|---|---|
| SMILES | CC(C)N=C(NC#N)SCC(=O)NC(C)(C)C |
| InChIKey | LQHUYUIGECBADV-UHFFFAOYSA-N |
Product Overview
2-(tert-butylamino)-2-oxoethyl N'-cyano-N-propan-2-ylcarbamimidothioate (CAS 445385-83-1), with molecular formula C11H20N4OS and molecular weight 256.14 g/mol. IUPAC: [2-(tert-butylamino)-2-oxoethyl] N-cyano-N'-propan-2-ylcarbamimidothioate.
Chemical Property Profile of 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-propan-2-ylcarbamimidothioate
Property Insights of 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-propan-2-ylcarbamimidothioate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-propan-2-ylcarbamimidothioate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-propan-2-ylcarbamimidothioate. Following Lipinski's Rule of Five, 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-propan-2-ylcarbamimidothioate has 2 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 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-propan-2-ylcarbamimidothioate?
The CAS number of 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-propan-2-ylcarbamimidothioate is 445385-83-1.
What is the molecular formula of 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-propan-2-ylcarbamimidothioate?
The molecular formula of 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-propan-2-ylcarbamimidothioate is C11H20N4OS.
What is the molecular weight of 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-propan-2-ylcarbamimidothioate?
The molecular weight of 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-propan-2-ylcarbamimidothioate is 256.14 g/mol.
Where can I buy 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-propan-2-ylcarbamimidothioate?
You can request a quote for 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-propan-2-ylcarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-propan-2-ylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-butylamino)-2-oxoethyl N'-cyano-N-propan-2-ylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.