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methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate
TL;DR: methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate (CAS 72500-50-6) is a chemical compound with molecular formula C13H18N4S and molecular weight 262.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate
Also Known As: methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate, Carbamimidothioic acid, N-cyano-N'-[4-(diethylamino)phenyl]-, methyl ester, Carbamimidothioic acid,N-cyano-N'-[4-(diethylamino)phenyl]-,methyl ester
| Molecular Formula | C13H18N4S |
|---|---|
| Molecular Weight | 262.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 262.1252 |
| Heavy Atoms | 18 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 72500-50-6 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)N=C(NC#N)SC |
| InChIKey | COFRLHBNOPNUGN-UHFFFAOYSA-N |
Product Overview
methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate (CAS 72500-50-6), with molecular formula C13H18N4S and molecular weight 262.13 g/mol. IUPAC: methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate.
Chemical Property Profile of methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate
Property Insights of methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate
The XLogP value of 3.2 indicates that methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate. Following Lipinski's Rule of Five, methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate has 1 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 methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate?
The CAS number of methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate is 72500-50-6.
What is the molecular formula of methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate?
The molecular formula of methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate is C13H18N4S.
What is the molecular weight of methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate?
The molecular weight of methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate is 262.13 g/mol.
Where can I buy methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate?
You can request a quote for methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.