Urea, 1-(2-chloroethyl)-1-nitroso-3-(tetrahydro-3-thienyl)-, S,S-dioxide
TL;DR: Urea, 1-(2-chloroethyl)-1-nitroso-3-(tetrahydro-3-thienyl)-, S,S-dioxide (CAS 33022-00-3) is a chemical compound with molecular formula C7H12ClN3O4S and molecular weight 269.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(1,1-dioxothiolan-3-yl)-1-nitrosourea
Also Known As: Urea, S,S-dioxide, KST-1B3324, 1-(2-chloroethyl)-3-(1,1-dioxothiolan-3-yl)-1-nitrosourea, 1-(2-Chloroethyl)-1-nitroso-3-(tetrahydro-3-thienyl)urea S,S-dioxide, Urea, 1-(2-chloroethyl)-1-nitroso-3-(tetrahydro-3-thienyl)-, S,S-dioxide
| Molecular Formula | C7H12ClN3O4S |
|---|---|
| Molecular Weight | 269.02 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.0237 |
| Heavy Atoms | 16 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 33022-00-3 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=O)N(CCCl)N=O |
| InChIKey | DGYLUCGVNBSPCO-UHFFFAOYSA-N |
Product Overview
Urea, 1-(2-chloroethyl)-1-nitroso-3-(tetrahydro-3-thienyl)-, S,S-dioxide (CAS 33022-00-3), with molecular formula C7H12ClN3O4S and molecular weight 269.02 g/mol. IUPAC: 1-(2-chloroethyl)-3-(1,1-dioxothiolan-3-yl)-1-nitrosourea.
Chemical Property Profile of Urea, 1-(2-chloroethyl)-1-nitroso-3-(tetrahydro-3-thienyl)-, S,S-dioxide
Property Insights of Urea, 1-(2-chloroethyl)-1-nitroso-3-(tetrahydro-3-thienyl)-, S,S-dioxide
The XLogP value of -0.2 indicates that Urea, 1-(2-chloroethyl)-1-nitroso-3-(tetrahydro-3-thienyl)-, S,S-dioxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1-(2-chloroethyl)-1-nitroso-3-(tetrahydro-3-thienyl)-, S,S-dioxide. Following Lipinski's Rule of Five, Urea, 1-(2-chloroethyl)-1-nitroso-3-(tetrahydro-3-thienyl)-, S,S-dioxide 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)-1-nitroso-3-(tetrahydro-3-thienyl)-, S,S-dioxide?
The CAS number of Urea, 1-(2-chloroethyl)-1-nitroso-3-(tetrahydro-3-thienyl)-, S,S-dioxide is 33022-00-3.
What is the molecular formula of Urea, 1-(2-chloroethyl)-1-nitroso-3-(tetrahydro-3-thienyl)-, S,S-dioxide?
The molecular formula of Urea, 1-(2-chloroethyl)-1-nitroso-3-(tetrahydro-3-thienyl)-, S,S-dioxide is C7H12ClN3O4S.
What is the molecular weight of Urea, 1-(2-chloroethyl)-1-nitroso-3-(tetrahydro-3-thienyl)-, S,S-dioxide?
The molecular weight of Urea, 1-(2-chloroethyl)-1-nitroso-3-(tetrahydro-3-thienyl)-, S,S-dioxide is 269.02 g/mol.
Where can I buy Urea, 1-(2-chloroethyl)-1-nitroso-3-(tetrahydro-3-thienyl)-, S,S-dioxide?
You can request a quote for Urea, 1-(2-chloroethyl)-1-nitroso-3-(tetrahydro-3-thienyl)-, S,S-dioxide 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)-1-nitroso-3-(tetrahydro-3-thienyl)-, S,S-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-(2-chloroethyl)-1-nitroso-3-(tetrahydro-3-thienyl)-, S,S-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.