Benzene, 1,3,5-trinitro-2-(phenylthio)-
TL;DR: Benzene, 1,3,5-trinitro-2-(phenylthio)- (CAS 14678-56-9) is a chemical compound with molecular formula C12H7N3O6S and molecular weight 321.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-trinitro-2-phenylsulfanylbenzene
Also Known As: 1,3,5-trinitro-2-phenylsulfanylbenzene, Benzene, 1,3,5-trinitro-2-(phenylthio)-, 2.4.6-Trinitro-diphenylsulfid, 1,3,5-trinitro-2-(phenylsulfanyl)benzene, Phenyl(2,4,6-trinitrophenyl) sulfide
| Molecular Formula | C12H7N3O6S |
|---|---|
| Molecular Weight | 321.01 g/mol |
| LogP | 3.5624 |
| Topological Polar Surface Area | 129.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.00555 |
| Heavy Atoms | 22 |
| Complexity | 729.707 |
Chemical Identifiers
| CAS Number | 14678-56-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Benzene, 1,3,5-trinitro-2-(phenylthio)- (CAS 14678-56-9), with molecular formula C12H7N3O6S and molecular weight 321.01 g/mol. IUPAC: 1,3,5-trinitro-2-phenylsulfanylbenzene.
Chemical Property Profile of Benzene, 1,3,5-trinitro-2-(phenylthio)-
Property Insights of Benzene, 1,3,5-trinitro-2-(phenylthio)-
The XLogP value of 3.5624 indicates that Benzene, 1,3,5-trinitro-2-(phenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1,3,5-trinitro-2-(phenylthio)-. Following Lipinski's Rule of Five, Benzene, 1,3,5-trinitro-2-(phenylthio)- has 0 hydrogen bond donor(s) and 7 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, 1,3,5-trinitro-2-(phenylthio)-?
The CAS number of Benzene, 1,3,5-trinitro-2-(phenylthio)- is 14678-56-9.
What is the molecular formula of Benzene, 1,3,5-trinitro-2-(phenylthio)-?
The molecular formula of Benzene, 1,3,5-trinitro-2-(phenylthio)- is C12H7N3O6S.
What is the molecular weight of Benzene, 1,3,5-trinitro-2-(phenylthio)-?
The molecular weight of Benzene, 1,3,5-trinitro-2-(phenylthio)- is 321.01 g/mol.
Where can I buy Benzene, 1,3,5-trinitro-2-(phenylthio)-?
You can request a quote for Benzene, 1,3,5-trinitro-2-(phenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,3,5-trinitro-2-(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,3,5-trinitro-2-(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.