Ethanimidothioic acid, N-((((((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methylamino)carbonyl)oxy)-, methyl ester
TL;DR: Ethanimidothioic acid, N-((((((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methylamino)carbonyl)oxy)-, methyl ester (CAS 104946-79-4) is a chemical compound with molecular formula C14H19ClN4O2S2 and molecular weight 374.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1Z)-N-[[(4-chloro-2-methylphenyl)iminomethyl-methylamino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
Also Known As: Ethanimidothioic acid, N-((((((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methylamino)carbonyl)oxy)-, methyl ester, methyl (1Z)-N-[[(4-chloro-2-methylphenyl)iminomethyl-methylamino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
| Molecular Formula | C14H19ClN4O2S2 |
|---|---|
| Molecular Weight | 374.06 g/mol |
| LogP | 4.56802 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.06378 |
| Heavy Atoms | 23 |
| Complexity | 610.4401 |
Chemical Identifiers
| CAS Number | 104946-79-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)N=CN(C)SN(C)C(=O)O/N=C(/C)\SC |
Product Overview
Ethanimidothioic acid, N-((((((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methylamino)carbonyl)oxy)-, methyl ester (CAS 104946-79-4), with molecular formula C14H19ClN4O2S2 and molecular weight 374.06 g/mol. IUPAC: methyl (1Z)-N-[[(4-chloro-2-methylphenyl)iminomethyl-methylamino]sulfanyl-methylcarbamoyl]oxyethanimidothioate.
Chemical Property Profile of Ethanimidothioic acid, N-((((((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methylamino)carbonyl)oxy)-, methyl ester
Property Insights of Ethanimidothioic acid, N-((((((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methylamino)carbonyl)oxy)-, methyl ester
The XLogP value of 4.56802 indicates that Ethanimidothioic acid, N-((((((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methylamino)carbonyl)oxy)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Ethanimidothioic acid, N-((((((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methylamino)carbonyl)oxy)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanimidothioic acid, N-((((((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methylamino)carbonyl)oxy)-, methyl ester has 0 hydrogen bond donor(s) and 6 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 Ethanimidothioic acid, N-((((((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methylamino)carbonyl)oxy)-, methyl ester?
The CAS number of Ethanimidothioic acid, N-((((((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methylamino)carbonyl)oxy)-, methyl ester is 104946-79-4.
What is the molecular formula of Ethanimidothioic acid, N-((((((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methylamino)carbonyl)oxy)-, methyl ester?
The molecular formula of Ethanimidothioic acid, N-((((((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methylamino)carbonyl)oxy)-, methyl ester is C14H19ClN4O2S2.
What is the molecular weight of Ethanimidothioic acid, N-((((((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methylamino)carbonyl)oxy)-, methyl ester?
The molecular weight of Ethanimidothioic acid, N-((((((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methylamino)carbonyl)oxy)-, methyl ester is 374.06 g/mol.
Where can I buy Ethanimidothioic acid, N-((((((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methylamino)carbonyl)oxy)-, methyl ester?
You can request a quote for Ethanimidothioic acid, N-((((((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methylamino)carbonyl)oxy)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanimidothioic acid, N-((((((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methylamino)carbonyl)oxy)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanimidothioic acid, N-((((((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methylamino)carbonyl)oxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.