4-(甲硫基)-间甲苯基甲基氨基甲酸酯
TL;DR: 4-(甲硫基)-间甲苯基甲基氨基甲酸酯 (CAS 3566-00-5) is a chemical compound with molecular formula C10H13NO2S and molecular weight 211.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(甲硫基)-间甲苯基甲基氨基甲酸酯
(3-methyl-4-methylsulfanylphenyl) N-methylcarbamate
Also Known As: Bayer 32651, Phenol, methylcarbamate, BAY S 2758, BAY 32651, DRC 1325
| Molecular Formula | C10H13NO2S |
|---|---|
| Molecular Weight | 211.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.0667 |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 3566-00-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC(=O)NC)SC |
| InChIKey | SLZKSCPVPMUGAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(甲硫基)-间甲苯基甲基氨基甲酸酯 (CAS 3566-00-5), with molecular formula C10H13NO2S and molecular weight 211.07 g/mol. IUPAC: (3-methyl-4-methylsulfanylphenyl) N-methylcarbamate.
Chemical Property Profile of 4-(甲硫基)-间甲苯基甲基氨基甲酸酯
Property Insights of 4-(甲硫基)-间甲苯基甲基氨基甲酸酯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(甲硫基)-间甲苯基甲基氨基甲酸酯. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(甲硫基)-间甲苯基甲基氨基甲酸酯. Following Lipinski's Rule of Five, 4-(甲硫基)-间甲苯基甲基氨基甲酸酯 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 4-(甲硫基)-间甲苯基甲基氨基甲酸酯?
The CAS number of 4-(甲硫基)-间甲苯基甲基氨基甲酸酯 is 3566-00-5.
What is the molecular formula of 4-(甲硫基)-间甲苯基甲基氨基甲酸酯?
The molecular formula of 4-(甲硫基)-间甲苯基甲基氨基甲酸酯 is C10H13NO2S.
What is the molecular weight of 4-(甲硫基)-间甲苯基甲基氨基甲酸酯?
The molecular weight of 4-(甲硫基)-间甲苯基甲基氨基甲酸酯 is 211.07 g/mol.
Where can I buy 4-(甲硫基)-间甲苯基甲基氨基甲酸酯?
You can request a quote for 4-(甲硫基)-间甲苯基甲基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(甲硫基)-间甲苯基甲基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 4-(甲硫基)-间甲苯基甲基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.