1,3-Dithiane, 2-(2-nitrophenyl)-
TL;DR: 1,3-Dithiane, 2-(2-nitrophenyl)- (CAS 35531-58-9) is a chemical compound with molecular formula C10H11NO2S2 and molecular weight 241.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitrophenyl)-1,3-dithiane
Also Known As: 2-(2-nitrophenyl)-1,3-dithiane, 2-nitrophenyl-1,3-dithiane, 1,3-Dithiane, 2-(2-nitrophenyl)-, 2-Nitrobenzaldehyde trimethylenedithioacetal, 2-(2-NITRO-PHENYL)-(1,3)DITHIANE
| Molecular Formula | C10H11NO2S2 |
|---|---|
| Molecular Weight | 241.02 g/mol |
| LogP | 3.4635 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.02312 |
| Heavy Atoms | 15 |
| Complexity | 364.19495 |
Chemical Identifiers
| CAS Number | 35531-58-9 |
|---|---|
| SMILES | C1CSC(SC1)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
1,3-Dithiane, 2-(2-nitrophenyl)- (CAS 35531-58-9), with molecular formula C10H11NO2S2 and molecular weight 241.02 g/mol. IUPAC: 2-(2-nitrophenyl)-1,3-dithiane.
Chemical Property Profile of 1,3-Dithiane, 2-(2-nitrophenyl)-
Property Insights of 1,3-Dithiane, 2-(2-nitrophenyl)-
The XLogP value of 3.4635 indicates that 1,3-Dithiane, 2-(2-nitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 1,3-Dithiane, 2-(2-nitrophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dithiane, 2-(2-nitrophenyl)- has 0 hydrogen bond donor(s) and 4 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 1,3-Dithiane, 2-(2-nitrophenyl)-?
The CAS number of 1,3-Dithiane, 2-(2-nitrophenyl)- is 35531-58-9.
What is the molecular formula of 1,3-Dithiane, 2-(2-nitrophenyl)-?
The molecular formula of 1,3-Dithiane, 2-(2-nitrophenyl)- is C10H11NO2S2.
What is the molecular weight of 1,3-Dithiane, 2-(2-nitrophenyl)-?
The molecular weight of 1,3-Dithiane, 2-(2-nitrophenyl)- is 241.02 g/mol.
Where can I buy 1,3-Dithiane, 2-(2-nitrophenyl)-?
You can request a quote for 1,3-Dithiane, 2-(2-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dithiane, 2-(2-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiane, 2-(2-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.