Urea, 1-(2-chloroethyl)-3-(m-dithian-5-yl)-1-nitroso-
TL;DR: Urea, 1-(2-chloroethyl)-3-(m-dithian-5-yl)-1-nitroso- (CAS 33022-04-7) is a chemical compound with molecular formula C7H12ClN3O2S2 and molecular weight 269.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(1,3-dithian-5-yl)-1-nitrosourea
Also Known As: N- -N-nitroso-N'- urea, NSC 128,303, Urea,3-dithian-5-yl-N-nitroso-, Urea, 1-(2-chloroethyl)-3-(m-dithian-5-yl)-1-nitroso-, 1-(2-Chloroethyl)-3-(m-dithian-5-yl)-1-nitrosourea
| Molecular Formula | C7H12ClN3O2S2 |
|---|---|
| Molecular Weight | 269.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.00595 |
| Heavy Atoms | 15 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 33022-04-7 |
|---|---|
| SMILES | C1C(CSCS1)NC(=O)N(CCCl)N=O |
| InChIKey | LONJSZKHAGAXPS-UHFFFAOYSA-N |
Product Overview
Urea, 1-(2-chloroethyl)-3-(m-dithian-5-yl)-1-nitroso- (CAS 33022-04-7), with molecular formula C7H12ClN3O2S2 and molecular weight 269.01 g/mol. IUPAC: 1-(2-chloroethyl)-3-(1,3-dithian-5-yl)-1-nitrosourea.
Chemical Property Profile of Urea, 1-(2-chloroethyl)-3-(m-dithian-5-yl)-1-nitroso-
Property Insights of Urea, 1-(2-chloroethyl)-3-(m-dithian-5-yl)-1-nitroso-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-(2-chloroethyl)-3-(m-dithian-5-yl)-1-nitroso-. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1-(2-chloroethyl)-3-(m-dithian-5-yl)-1-nitroso-. Following Lipinski's Rule of Five, Urea, 1-(2-chloroethyl)-3-(m-dithian-5-yl)-1-nitroso- 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 Urea, 1-(2-chloroethyl)-3-(m-dithian-5-yl)-1-nitroso-?
The CAS number of Urea, 1-(2-chloroethyl)-3-(m-dithian-5-yl)-1-nitroso- is 33022-04-7.
What is the molecular formula of Urea, 1-(2-chloroethyl)-3-(m-dithian-5-yl)-1-nitroso-?
The molecular formula of Urea, 1-(2-chloroethyl)-3-(m-dithian-5-yl)-1-nitroso- is C7H12ClN3O2S2.
What is the molecular weight of Urea, 1-(2-chloroethyl)-3-(m-dithian-5-yl)-1-nitroso-?
The molecular weight of Urea, 1-(2-chloroethyl)-3-(m-dithian-5-yl)-1-nitroso- is 269.01 g/mol.
Where can I buy Urea, 1-(2-chloroethyl)-3-(m-dithian-5-yl)-1-nitroso-?
You can request a quote for Urea, 1-(2-chloroethyl)-3-(m-dithian-5-yl)-1-nitroso- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-(2-chloroethyl)-3-(m-dithian-5-yl)-1-nitroso-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-(2-chloroethyl)-3-(m-dithian-5-yl)-1-nitroso- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.