benzyl N-cyano-N'-propan-2-ylcarbamimidothioate
TL;DR: benzyl N-cyano-N'-propan-2-ylcarbamimidothioate (CAS 445385-78-4) is a chemical compound with molecular formula C12H15N3S and molecular weight 233.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-cyano-N'-propan-2-ylcarbamimidothioate
Also Known As: benzyl N-cyano-N'-propan-2-ylcarbamimidothioate, benzyl N'-cyano-N-isopropylcarbamimidothioate, benzyl N'-cyano-N-isopropylimidothiocarbamate, benzyl N'-cyano-N-propan-2-ylcarbamimidothioate, (E)-benzyl N'-cyano-N-isopropylcarbamimidothioate
| Molecular Formula | C12H15N3S |
|---|---|
| Molecular Weight | 233.10 g/mol |
| LogP | 2.75488 |
| Topological Polar Surface Area | 48.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.09866 |
| Heavy Atoms | 16 |
| Complexity | 379.0004 |
Chemical Identifiers
| CAS Number | 445385-78-4 |
|---|---|
| SMILES | CC(C)N=C(NC#N)SCC1=CC=CC=C1 |
Product Overview
benzyl N-cyano-N'-propan-2-ylcarbamimidothioate (CAS 445385-78-4), with molecular formula C12H15N3S and molecular weight 233.10 g/mol. IUPAC: benzyl N-cyano-N'-propan-2-ylcarbamimidothioate.
Chemical Property Profile of benzyl N-cyano-N'-propan-2-ylcarbamimidothioate
Property Insights of benzyl N-cyano-N'-propan-2-ylcarbamimidothioate
The XLogP value of 2.75488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl N-cyano-N'-propan-2-ylcarbamimidothioate. With a topological polar surface area (TPSA) of 48.18 Ų, benzyl N-cyano-N'-propan-2-ylcarbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl N-cyano-N'-propan-2-ylcarbamimidothioate has 1 hydrogen bond donor(s) and 3 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 benzyl N-cyano-N'-propan-2-ylcarbamimidothioate?
The CAS number of benzyl N-cyano-N'-propan-2-ylcarbamimidothioate is 445385-78-4.
What is the molecular formula of benzyl N-cyano-N'-propan-2-ylcarbamimidothioate?
The molecular formula of benzyl N-cyano-N'-propan-2-ylcarbamimidothioate is C12H15N3S.
What is the molecular weight of benzyl N-cyano-N'-propan-2-ylcarbamimidothioate?
The molecular weight of benzyl N-cyano-N'-propan-2-ylcarbamimidothioate is 233.10 g/mol.
Where can I buy benzyl N-cyano-N'-propan-2-ylcarbamimidothioate?
You can request a quote for benzyl 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 benzyl N-cyano-N'-propan-2-ylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N-cyano-N'-propan-2-ylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.