![Methyl 4-{[(methylamino)carbothioyl]amino}benzoate structure](/static/products/3500/35006-94-1.webp)
Methyl 4-{[(methylamino)carbothioyl]amino}benzoate
TL;DR: Methyl 4-{[(methylamino)carbothioyl]amino}benzoate (CAS 35006-94-1) is a chemical compound with molecular formula C10H12N2O2S and molecular weight 224.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(methylcarbamothioylamino)benzoate
Also Known As: Methyl 4-{[(methylamino)carbothioyl]amino}benzoate, Methyl 4-(3-methylthioureido)benzoate, methyl 4-(methylcarbamothioylamino)benzoate, METHYL 4-[(METHYLCARBAMOTHIOYL)AMINO]BENZOATE, methyl 4-{[(methylamino)carbonothioyl]amino}benzoate
| Molecular Formula | C10H12N2O2S |
|---|---|
| Molecular Weight | 224.06 g/mol |
| LogP | 1.3894 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.06195 |
| Heavy Atoms | 15 |
| Complexity | 362.19006 |
Chemical Identifiers
| CAS Number | 35006-94-1 |
|---|---|
| SMILES | CNC(=S)NC1=CC=C(C=C1)C(=O)OC |
Product Overview
Methyl 4-{[(methylamino)carbothioyl]amino}benzoate (CAS 35006-94-1), with molecular formula C10H12N2O2S and molecular weight 224.06 g/mol. IUPAC: methyl 4-(methylcarbamothioylamino)benzoate.
Chemical Property Profile of Methyl 4-{[(methylamino)carbothioyl]amino}benzoate
Property Insights of Methyl 4-{[(methylamino)carbothioyl]amino}benzoate
The XLogP value of 1.3894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{[(methylamino)carbothioyl]amino}benzoate. With a topological polar surface area (TPSA) of 50.36 Ų, Methyl 4-{[(methylamino)carbothioyl]amino}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-{[(methylamino)carbothioyl]amino}benzoate has 2 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 4-{[(methylamino)carbothioyl]amino}benzoate?
The CAS number of Methyl 4-{[(methylamino)carbothioyl]amino}benzoate is 35006-94-1.
What is the molecular formula of Methyl 4-{[(methylamino)carbothioyl]amino}benzoate?
The molecular formula of Methyl 4-{[(methylamino)carbothioyl]amino}benzoate is C10H12N2O2S.
What is the molecular weight of Methyl 4-{[(methylamino)carbothioyl]amino}benzoate?
The molecular weight of Methyl 4-{[(methylamino)carbothioyl]amino}benzoate is 224.06 g/mol.
Where can I buy Methyl 4-{[(methylamino)carbothioyl]amino}benzoate?
You can request a quote for Methyl 4-{[(methylamino)carbothioyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-{[(methylamino)carbothioyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[(methylamino)carbothioyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.