N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)-N-nitrosocarbamimidic acid
TL;DR: N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)-N-nitrosocarbamimidic acid (CAS 69226-01-3) is a chemical compound with molecular formula C8H14ClN3O2S2 and molecular weight 283.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloroethyl)-1-(2-methyl-1,3-dithian-5-yl)-1-nitrosourea
Also Known As: cis-1-(2-Chloroethyl)-3-(2-methyl-m-dithian-5-yl)-3-nitrosourea, 3-(2-chloroethyl)-1-(2-methyl-1,3-dithian-5-yl)-1-nitrosourea, Urea, 1-(2-chloroethyl)-3-(2-methyl-m-dithian-5-yl)-3-nitroso-, (Z)-, N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)-N-nitrosocarbamimidic acid, 1-(2-Chloroethyl)-3-(2alpha-methyl-1,3-dithian-5alpha-yl)-3-nitrosourea
| Molecular Formula | C8H14ClN3O2S2 |
|---|---|
| Molecular Weight | 283.02 g/mol |
| LogP | 2.1128 |
| Topological Polar Surface Area | 61.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.0216 |
| Heavy Atoms | 16 |
| Complexity | 249.43793 |
Chemical Identifiers
| CAS Number | 69226-01-3 |
|---|---|
| SMILES | CC1SCC(CS1)N(C(=O)NCCCl)N=O |
Product Overview
N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)-N-nitrosocarbamimidic acid (CAS 69226-01-3), with molecular formula C8H14ClN3O2S2 and molecular weight 283.02 g/mol. IUPAC: 3-(2-chloroethyl)-1-(2-methyl-1,3-dithian-5-yl)-1-nitrosourea.
Chemical Property Profile of N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)-N-nitrosocarbamimidic acid
Property Insights of N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)-N-nitrosocarbamimidic acid
The XLogP value of 2.1128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)-N-nitrosocarbamimidic acid. The TPSA of 61.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)-N-nitrosocarbamimidic acid. Following Lipinski's Rule of Five, N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)-N-nitrosocarbamimidic acid has 1 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 N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)-N-nitrosocarbamimidic acid?
The CAS number of N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)-N-nitrosocarbamimidic acid is 69226-01-3.
What is the molecular formula of N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)-N-nitrosocarbamimidic acid?
The molecular formula of N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)-N-nitrosocarbamimidic acid is C8H14ClN3O2S2.
What is the molecular weight of N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)-N-nitrosocarbamimidic acid?
The molecular weight of N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)-N-nitrosocarbamimidic acid is 283.02 g/mol.
Where can I buy N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)-N-nitrosocarbamimidic acid?
You can request a quote for N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)-N-nitrosocarbamimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)-N-nitrosocarbamimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)-N-nitrosocarbamimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.