S-(4-(Dimethylamino)phenyl) o-hydrogen sulfurothioate
TL;DR: S-(4-(Dimethylamino)phenyl) o-hydrogen sulfurothioate (CAS 321686-39-9) is a chemical compound with molecular formula C8H11NO3S2 and molecular weight 233.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dimethylamino)-4-sulfosulfanylbenzene
Also Known As: 1-(dimethylamino)-4-sulfosulfanylbenzene, S-(4-(Dimethylamino)phenyl) o-hydrogen sulfurothioate, Thiosulfuric acid (H2S2O3), S-(4-(dimethylamino)phenyl) ester, Thiosulfuric acid (H2S2O3), S-[4-(dimethylamino)phenyl] ester
| Molecular Formula | C8H11NO3S2 |
|---|---|
| Molecular Weight | 233.02 g/mol |
| LogP | 1.6475 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.01804 |
| Heavy Atoms | 14 |
| Complexity | 397.0995 |
Chemical Identifiers
| CAS Number | 321686-39-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)SS(=O)(=O)O |
Product Overview
S-(4-(Dimethylamino)phenyl) o-hydrogen sulfurothioate (CAS 321686-39-9), with molecular formula C8H11NO3S2 and molecular weight 233.02 g/mol. IUPAC: 1-(dimethylamino)-4-sulfosulfanylbenzene.
Chemical Property Profile of S-(4-(Dimethylamino)phenyl) o-hydrogen sulfurothioate
Property Insights of S-(4-(Dimethylamino)phenyl) o-hydrogen sulfurothioate
The XLogP value of 1.6475 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(4-(Dimethylamino)phenyl) o-hydrogen sulfurothioate. With a topological polar surface area (TPSA) of 57.61 Ų, S-(4-(Dimethylamino)phenyl) o-hydrogen sulfurothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-(Dimethylamino)phenyl) o-hydrogen sulfurothioate has 1 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 S-(4-(Dimethylamino)phenyl) o-hydrogen sulfurothioate?
The CAS number of S-(4-(Dimethylamino)phenyl) o-hydrogen sulfurothioate is 321686-39-9.
What is the molecular formula of S-(4-(Dimethylamino)phenyl) o-hydrogen sulfurothioate?
The molecular formula of S-(4-(Dimethylamino)phenyl) o-hydrogen sulfurothioate is C8H11NO3S2.
What is the molecular weight of S-(4-(Dimethylamino)phenyl) o-hydrogen sulfurothioate?
The molecular weight of S-(4-(Dimethylamino)phenyl) o-hydrogen sulfurothioate is 233.02 g/mol.
Where can I buy S-(4-(Dimethylamino)phenyl) o-hydrogen sulfurothioate?
You can request a quote for S-(4-(Dimethylamino)phenyl) o-hydrogen sulfurothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-(Dimethylamino)phenyl) o-hydrogen sulfurothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-(Dimethylamino)phenyl) o-hydrogen sulfurothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.