4-((((Aminothio)(imino)methyl)imino)methyl)-2-methyl-1-(methylthio)benzene
TL;DR: 4-((((Aminothio)(imino)methyl)imino)methyl)-2-methyl-1-(methylthio)benzene (CAS 5408-41-3) is a chemical compound with molecular formula C10H13N3S2 and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
amino (NE)-N-[(3-methyl-4-methylsulfanylphenyl)methylidene]carbamimidothioate
Also Known As: 4-((((Aminothio)(imino)methyl)imino)methyl)-2-methyl-1-(methylthio)benzene, (1E)-2-amino-1-[(3-methyl-4-methylsulfanyl-phenyl)methylene]isothiourea, amino (NE)-N-[(3-methyl-4-methylsulfanylphenyl)methylidene]carbamimidothioate
| Molecular Formula | C10H13N3S2 |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 2.67749 |
| Topological Polar Surface Area | 62.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.05508 |
| Heavy Atoms | 15 |
| Complexity | 388.25394 |
Chemical Identifiers
| CAS Number | 5408-41-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)/C=N/C(=N)SN)SC |
Product Overview
4-((((Aminothio)(imino)methyl)imino)methyl)-2-methyl-1-(methylthio)benzene (CAS 5408-41-3), with molecular formula C10H13N3S2 and molecular weight 239.06 g/mol. IUPAC: amino (NE)-N-[(3-methyl-4-methylsulfanylphenyl)methylidene]carbamimidothioate.
Chemical Property Profile of 4-((((Aminothio)(imino)methyl)imino)methyl)-2-methyl-1-(methylthio)benzene
Property Insights of 4-((((Aminothio)(imino)methyl)imino)methyl)-2-methyl-1-(methylthio)benzene
The XLogP value of 2.67749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((((Aminothio)(imino)methyl)imino)methyl)-2-methyl-1-(methylthio)benzene. The TPSA of 62.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((((Aminothio)(imino)methyl)imino)methyl)-2-methyl-1-(methylthio)benzene. Following Lipinski's Rule of Five, 4-((((Aminothio)(imino)methyl)imino)methyl)-2-methyl-1-(methylthio)benzene 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 4-((((Aminothio)(imino)methyl)imino)methyl)-2-methyl-1-(methylthio)benzene?
The CAS number of 4-((((Aminothio)(imino)methyl)imino)methyl)-2-methyl-1-(methylthio)benzene is 5408-41-3.
What is the molecular formula of 4-((((Aminothio)(imino)methyl)imino)methyl)-2-methyl-1-(methylthio)benzene?
The molecular formula of 4-((((Aminothio)(imino)methyl)imino)methyl)-2-methyl-1-(methylthio)benzene is C10H13N3S2.
What is the molecular weight of 4-((((Aminothio)(imino)methyl)imino)methyl)-2-methyl-1-(methylthio)benzene?
The molecular weight of 4-((((Aminothio)(imino)methyl)imino)methyl)-2-methyl-1-(methylthio)benzene is 239.06 g/mol.
Where can I buy 4-((((Aminothio)(imino)methyl)imino)methyl)-2-methyl-1-(methylthio)benzene?
You can request a quote for 4-((((Aminothio)(imino)methyl)imino)methyl)-2-methyl-1-(methylthio)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((((Aminothio)(imino)methyl)imino)methyl)-2-methyl-1-(methylthio)benzene?
Yes, KEHONG BIO provides custom synthesis services for 4-((((Aminothio)(imino)methyl)imino)methyl)-2-methyl-1-(methylthio)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.