(2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate
TL;DR: (2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate (CAS 42288-20-0) is a chemical compound with molecular formula C11H14N2O4S3 and molecular weight 334.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate
Also Known As: 3-bromophenylglycine, (2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate, NCI60_035410, J1.363.775J, Diethyldithiocarbamic acid 2-nitrophenylsulfonyl ester
| Molecular Formula | C11H14N2O4S3 |
|---|---|
| Molecular Weight | 334.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.01157 |
| Heavy Atoms | 20 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 42288-20-0 |
|---|---|
| SMILES | CCN(CC)C(=S)SS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | GFRUXBKTCIYXAD-UHFFFAOYSA-N |
Product Overview
(2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate (CAS 42288-20-0), with molecular formula C11H14N2O4S3 and molecular weight 334.01 g/mol. IUPAC: (2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate.
Chemical Property Profile of (2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate
Property Insights of (2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate. The TPSA of 149.0 Ų indicates high polarity, suggesting (2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate has 0 hydrogen bond donor(s) and 6 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 (2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate?
The CAS number of (2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate is 42288-20-0.
What is the molecular formula of (2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate?
The molecular formula of (2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate is C11H14N2O4S3.
What is the molecular weight of (2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate?
The molecular weight of (2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate is 334.01 g/mol.
Where can I buy (2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate?
You can request a quote for (2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for (2-nitrophenyl)sulfonyl N,N-diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.