Sulfide, bis(trinitrophenyl)
TL;DR: Sulfide, bis(trinitrophenyl) (CAS 28930-30-5) is a chemical compound with molecular formula C12H4N6O12S and molecular weight 455.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5-pentanitro-6-(2-nitrophenyl)sulfanylbenzene
Also Known As: Hnds, Sulfide, bis(trinitrophenyl), Hexanitrodiphenylsulfide, Benzene, 1,1'-thiobis-, hexanitro deriv., 1,2,3,4,5-pentanitro-6-(2-nitrophenyl)sulfanylbenzene
| Molecular Formula | C12H4N6O12S |
|---|---|
| Molecular Weight | 455.96 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 300.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 2 |
| Exact Mass | 455.9608 |
| Heavy Atoms | 31 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 28930-30-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])SC2=C(C(=C(C(=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | OKWLCUWJPPORKE-UHFFFAOYSA-N |
Product Overview
Sulfide, bis(trinitrophenyl) (CAS 28930-30-5), with molecular formula C12H4N6O12S and molecular weight 455.96 g/mol. IUPAC: 1,2,3,4,5-pentanitro-6-(2-nitrophenyl)sulfanylbenzene.
Chemical Property Profile of Sulfide, bis(trinitrophenyl)
Property Insights of Sulfide, bis(trinitrophenyl)
The XLogP value of 3.0 indicates that Sulfide, bis(trinitrophenyl) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 300.0 Ų indicates high polarity, suggesting Sulfide, bis(trinitrophenyl) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulfide, bis(trinitrophenyl) has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sulfide, bis(trinitrophenyl)?
The CAS number of Sulfide, bis(trinitrophenyl) is 28930-30-5.
What is the molecular formula of Sulfide, bis(trinitrophenyl)?
The molecular formula of Sulfide, bis(trinitrophenyl) is C12H4N6O12S.
What is the molecular weight of Sulfide, bis(trinitrophenyl)?
The molecular weight of Sulfide, bis(trinitrophenyl) is 455.96 g/mol.
Where can I buy Sulfide, bis(trinitrophenyl)?
You can request a quote for Sulfide, bis(trinitrophenyl) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfide, bis(trinitrophenyl)?
Yes, KEHONG BIO provides custom synthesis services for Sulfide, bis(trinitrophenyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.