trans-1-(2-Chloroethyl)-1-(2-methyl-1,1,3,3-tetraoxo-m-dithian-5-yl)-3-nitrosourea
TL;DR: trans-1-(2-Chloroethyl)-1-(2-methyl-1,1,3,3-tetraoxo-m-dithian-5-yl)-3-nitrosourea (CAS 69226-03-5) is a chemical compound with molecular formula C8H14ClN3O6S2 and molecular weight 347.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-1-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)-3-nitrosourea
Also Known As: trans-1-(2-Chloroethyl)-1-(2-methyl-1,1,3,3-tetraoxo-m-dithian-5-yl)-3-nitrosourea, Urea, 1-(2-chloroethyl)-1-(2-methyl-1,1,3,3-tetraoxo-m-dithian-5-yl)-3-nitroso-, (E)-, N-(2-Chloroethyl)-N-(2-methyl-1,1,3,3-tetraoxo-1lambda~6~,3lambda~6~-dithian-5-yl)-N'-oxocarbamohydrazonic acid, 1-(2-chloroethyl)-1-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)-3-nitrosourea, Urea, N-(2-chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)-N'-nitroso-, S,S,S,S'-tetraoxide, trans-
| Molecular Formula | C8H14ClN3O6S2 |
|---|---|
| Molecular Weight | 347.00 g/mol |
| LogP | -0.524 |
| Topological Polar Surface Area | 130.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.00125 |
| Heavy Atoms | 20 |
| Complexity | 553.3335 |
Chemical Identifiers
| CAS Number | 69226-03-5 |
|---|---|
| SMILES | CC1S(=O)(=O)CC(CS1(=O)=O)N(CCCl)C(=O)NN=O |
Product Overview
trans-1-(2-Chloroethyl)-1-(2-methyl-1,1,3,3-tetraoxo-m-dithian-5-yl)-3-nitrosourea (CAS 69226-03-5), with molecular formula C8H14ClN3O6S2 and molecular weight 347.00 g/mol. IUPAC: 1-(2-chloroethyl)-1-(2-methyl-1,1,3,3-tetraoxo-1,3-dithian-5-yl)-3-nitrosourea.
Chemical Property Profile of trans-1-(2-Chloroethyl)-1-(2-methyl-1,1,3,3-tetraoxo-m-dithian-5-yl)-3-nitrosourea
Property Insights of trans-1-(2-Chloroethyl)-1-(2-methyl-1,1,3,3-tetraoxo-m-dithian-5-yl)-3-nitrosourea
The XLogP value of -0.524 indicates that trans-1-(2-Chloroethyl)-1-(2-methyl-1,1,3,3-tetraoxo-m-dithian-5-yl)-3-nitrosourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.05 Ų falls within the moderate polarity range, balancing permeability and solubility for trans-1-(2-Chloroethyl)-1-(2-methyl-1,1,3,3-tetraoxo-m-dithian-5-yl)-3-nitrosourea. Following Lipinski's Rule of Five, trans-1-(2-Chloroethyl)-1-(2-methyl-1,1,3,3-tetraoxo-m-dithian-5-yl)-3-nitrosourea has 1 hydrogen bond donor(s) and 7 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 trans-1-(2-Chloroethyl)-1-(2-methyl-1,1,3,3-tetraoxo-m-dithian-5-yl)-3-nitrosourea?
The CAS number of trans-1-(2-Chloroethyl)-1-(2-methyl-1,1,3,3-tetraoxo-m-dithian-5-yl)-3-nitrosourea is 69226-03-5.
What is the molecular formula of trans-1-(2-Chloroethyl)-1-(2-methyl-1,1,3,3-tetraoxo-m-dithian-5-yl)-3-nitrosourea?
The molecular formula of trans-1-(2-Chloroethyl)-1-(2-methyl-1,1,3,3-tetraoxo-m-dithian-5-yl)-3-nitrosourea is C8H14ClN3O6S2.
What is the molecular weight of trans-1-(2-Chloroethyl)-1-(2-methyl-1,1,3,3-tetraoxo-m-dithian-5-yl)-3-nitrosourea?
The molecular weight of trans-1-(2-Chloroethyl)-1-(2-methyl-1,1,3,3-tetraoxo-m-dithian-5-yl)-3-nitrosourea is 347.00 g/mol.
Where can I buy trans-1-(2-Chloroethyl)-1-(2-methyl-1,1,3,3-tetraoxo-m-dithian-5-yl)-3-nitrosourea?
You can request a quote for trans-1-(2-Chloroethyl)-1-(2-methyl-1,1,3,3-tetraoxo-m-dithian-5-yl)-3-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-1-(2-Chloroethyl)-1-(2-methyl-1,1,3,3-tetraoxo-m-dithian-5-yl)-3-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for trans-1-(2-Chloroethyl)-1-(2-methyl-1,1,3,3-tetraoxo-m-dithian-5-yl)-3-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.