![Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]- structure](/static/products/1288/128869-29-4.webp)
Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]-
TL;DR: Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]- (CAS 128869-29-4) is a chemical compound with molecular formula C11H12ClNO2S and molecular weight 257.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(2-nitro-1-prop-2-enylsulfanylethyl)benzene
Also Known As: Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]-, 2-(allylthio)-2-(4-chlorophenyl)-1-nitroethane, 1-chloro-4-(2-nitro-1-prop-2-enylsulfanylethyl)benzene, [1-(4-Chlorophenyl)-2-nitroethyl]2-propenyl sulfide, 1-[1-(Allylsulfanyl)-2-nitroethyl]-4-chlorobenzene
| Molecular Formula | C11H12ClNO2S |
|---|---|
| Molecular Weight | 257.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.02774 |
| Heavy Atoms | 16 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 128869-29-4 |
|---|---|
| SMILES | C=CCSC(C[N+](=O)[O-])C1=CC=C(C=C1)Cl |
| InChIKey | BXFHTZGQVCCJQF-UHFFFAOYSA-N |
Product Overview
Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]- (CAS 128869-29-4), with molecular formula C11H12ClNO2S and molecular weight 257.03 g/mol. IUPAC: 1-chloro-4-(2-nitro-1-prop-2-enylsulfanylethyl)benzene.
Chemical Property Profile of Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]-
Property Insights of Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]-
The XLogP value of 3.5 indicates that Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]-. Following Lipinski's Rule of Five, Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]- has 0 hydrogen bond donor(s) and 3 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 Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]-?
The CAS number of Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]- is 128869-29-4.
What is the molecular formula of Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]-?
The molecular formula of Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]- is C11H12ClNO2S.
What is the molecular weight of Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]-?
The molecular weight of Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]- is 257.03 g/mol.
Where can I buy Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]-?
You can request a quote for Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.