![Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]- structure](/static/products/7343/7343-61-5.webp)
Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]-
TL;DR: Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]- (CAS 7343-61-5) is a chemical compound with molecular formula C13H10N2O4S and molecular weight 290.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylsulfanyl-2,4-dinitrobenzene
Also Known As: Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]-, benzyl 2,4-dinitrophenyl sulfide, 1-(Benzylsulfanyl)-2,4-dinitrobenzene, 1-benzylsulfanyl-2,4-dinitrobenzene, 2,4-Dinitrobenzenethiol, S-benzyl-
| Molecular Formula | C13H10N2O4S |
|---|---|
| Molecular Weight | 290.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.03613 |
| Heavy Atoms | 20 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 7343-61-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | DLJPDAHCABYQTO-UHFFFAOYSA-N |
Product Overview
Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]- (CAS 7343-61-5), with molecular formula C13H10N2O4S and molecular weight 290.04 g/mol. IUPAC: 1-benzylsulfanyl-2,4-dinitrobenzene.
Chemical Property Profile of Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]-
Property Insights of Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]-
The XLogP value of 3.6 indicates that Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]-. Following Lipinski's Rule of Five, Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]- has 0 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 Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]-?
The CAS number of Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]- is 7343-61-5.
What is the molecular formula of Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]-?
The molecular formula of Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]- is C13H10N2O4S.
What is the molecular weight of Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]-?
The molecular weight of Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]- is 290.04 g/mol.
Where can I buy Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]-?
You can request a quote for Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.