o-methyl n-benzyl thiocarbamate
TL;DR: o-methyl n-benzyl thiocarbamate (CAS 65263-75-4) is a chemical compound with molecular formula C7H17Cl2N2O6PS and molecular weight 357.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxy-1-hydroxypropane-1-sulfonic acid
Also Known As: o-methyl n-benzyl thiocarbamate, 3-({Amino[bis(2-chloroethyl)amino]phosphoryl}oxy)-1-hydroxypropane-1-sulfonic acid, 3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxy-1-hydroxy-propane-1-sulfonic acid, 3-((Amino(bis(2-chloroethyl)amino)phosphoryl)oxy)-1-hydroxypropane-1-sulfonic acid, 3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxy-1-hydroxypropane-1-sulfonic acid
| Molecular Formula | C7H17Cl2N2O6PS |
|---|---|
| Molecular Weight | 357.99 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 357.9922 |
| Heavy Atoms | 19 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 65263-75-4 |
|---|---|
| SMILES | C(COP(=O)(N)N(CCCl)CCCl)C(O)S(=O)(=O)O |
| InChIKey | FJAKQZLTQZOKMK-UHFFFAOYSA-N |
Product Overview
o-methyl n-benzyl thiocarbamate (CAS 65263-75-4), with molecular formula C7H17Cl2N2O6PS and molecular weight 357.99 g/mol. IUPAC: 3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxy-1-hydroxypropane-1-sulfonic acid.
Chemical Property Profile of o-methyl n-benzyl thiocarbamate
Property Insights of o-methyl n-benzyl thiocarbamate
The XLogP value of -1.2 indicates that o-methyl n-benzyl thiocarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for o-methyl n-benzyl thiocarbamate. Following Lipinski's Rule of Five, o-methyl n-benzyl thiocarbamate has 3 hydrogen bond donor(s) and 8 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 o-methyl n-benzyl thiocarbamate?
The CAS number of o-methyl n-benzyl thiocarbamate is 65263-75-4.
What is the molecular formula of o-methyl n-benzyl thiocarbamate?
The molecular formula of o-methyl n-benzyl thiocarbamate is C7H17Cl2N2O6PS.
What is the molecular weight of o-methyl n-benzyl thiocarbamate?
The molecular weight of o-methyl n-benzyl thiocarbamate is 357.99 g/mol.
Where can I buy o-methyl n-benzyl thiocarbamate?
You can request a quote for o-methyl n-benzyl thiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-methyl n-benzyl thiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for o-methyl n-benzyl thiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.