N-(2-Chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)urea
TL;DR: N-(2-Chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)urea (CAS 33022-01-4) is a chemical compound with molecular formula C8H14ClN3O2S and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-1-nitroso-3-(thian-4-yl)urea
Also Known As: 2H-Thiopyran, urea deriv., 1-(2-Chloroethyl)-1-nitroso-3-(tetrahydro-2H-thiopyran-4-yl)urea, 1-(2-chloroethyl)-1-nitroso-3-(thian-4-yl)urea, Urea, N-(2-chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)-, N-(2-Chloroethyl)-N-nitroso-N'-(thian-4-yl)urea
| Molecular Formula | C8H14ClN3O2S |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.04953 |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 33022-01-4 |
|---|---|
| SMILES | C1CSCCC1NC(=O)N(CCCl)N=O |
| InChIKey | XPJOIOLIBUKQBN-UHFFFAOYSA-N |
Product Overview
N-(2-Chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)urea (CAS 33022-01-4), with molecular formula C8H14ClN3O2S and molecular weight 251.05 g/mol. IUPAC: 1-(2-chloroethyl)-1-nitroso-3-(thian-4-yl)urea.
Chemical Property Profile of N-(2-Chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)urea
Property Insights of N-(2-Chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)urea
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)urea. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)urea. Following Lipinski's Rule of Five, N-(2-Chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)urea has 1 hydrogen bond donor(s) and 4 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-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)urea?
The CAS number of N-(2-Chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)urea is 33022-01-4.
What is the molecular formula of N-(2-Chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)urea?
The molecular formula of N-(2-Chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)urea is C8H14ClN3O2S.
What is the molecular weight of N-(2-Chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)urea?
The molecular weight of N-(2-Chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)urea is 251.05 g/mol.
Where can I buy N-(2-Chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)urea?
You can request a quote for N-(2-Chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)urea 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-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.