methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate
TL;DR: methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate (CAS 72499-79-7) is a chemical compound with molecular formula C11H13N3S and molecular weight 219.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate
Also Known As: TimTec1_000655, methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate, 4-(((Cyanoimino)(methylsulfanyl)methyl)amino)-1,2-dimethylbenzene, (Z)-N'-cyano-N-(3,4-dimethylphenyl)(methylsulfanyl)methanimidamide, BRD-K43692344-001-01-1
| Molecular Formula | C11H13N3S |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | 2.72462 |
| Topological Polar Surface Area | 48.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.08302 |
| Heavy Atoms | 15 |
| Complexity | 418.33148 |
Chemical Identifiers
| CAS Number | 72499-79-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=C(NC#N)SC)C |
Product Overview
methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate (CAS 72499-79-7), with molecular formula C11H13N3S and molecular weight 219.08 g/mol. IUPAC: methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate.
Chemical Property Profile of methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate
Property Insights of methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate
The XLogP value of 2.72462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate. With a topological polar surface area (TPSA) of 48.18 Ų, methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate 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 methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate?
The CAS number of methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate is 72499-79-7.
What is the molecular formula of methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate?
The molecular formula of methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate is C11H13N3S.
What is the molecular weight of methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate?
The molecular weight of methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate is 219.08 g/mol.
Where can I buy methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate?
You can request a quote for methyl N-cyano-N'-(3,4-dimethylphenyl)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'-(3,4-dimethylphenyl)carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-cyano-N'-(3,4-dimethylphenyl)carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.