1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea
TL;DR: 1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea (CAS 61367-35-9) is a chemical compound with molecular formula C8H15ClN2O5S2 and molecular weight 318.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea
Also Known As: 1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea, N'-(2-Chloroethyl)-N-(2-methyl-1,1,3,3-tetraoxo-1lambda~6~,3lambda~6~-dithian-5-yl)carbamimidic acid
| Molecular Formula | C8H15ClN2O5S2 |
|---|---|
| Molecular Weight | 318.01 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.01108 |
| Heavy Atoms | 18 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 61367-35-9 |
|---|---|
| SMILES | CC1S(=O)(=O)CC(CS1(=O)=O)NC(=O)NCCCl |
| InChIKey | SYXJQQUZLIGCDW-UHFFFAOYSA-N |
Product Overview
1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea (CAS 61367-35-9), with molecular formula C8H15ClN2O5S2 and molecular weight 318.01 g/mol. IUPAC: 1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea.
Chemical Property Profile of 1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea
Property Insights of 1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea
The XLogP value of -0.9 indicates that 1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea. Following Lipinski's Rule of Five, 1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea has 2 hydrogen bond donor(s) and 5 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 1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea?
The CAS number of 1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea is 61367-35-9.
What is the molecular formula of 1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea?
The molecular formula of 1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea is C8H15ClN2O5S2.
What is the molecular weight of 1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea?
The molecular weight of 1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea is 318.01 g/mol.
Where can I buy 1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea?
You can request a quote for 1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-chloroethyl)-3-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.