2,2'-(亚甲基双硫)双苯胺
TL;DR: 2,2'-(亚甲基双硫)双苯胺 (CAS 57491-68-6) is a chemical compound with molecular formula C13H14N2S2 and molecular weight 262.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2'-(亚甲基双硫)双苯胺
2-[(2-aminophenyl)sulfanylmethylsulfanyl]aniline
Also Known As: Dotinurad Impurity 73, Aniline, o,o'-methylenedithiodi-, 1,1'-Bis(2-aminophenylthio)methane, 2,2'-(Methylenebis(thio))dianiline, 4,4'-Methylenebis(2-aminophenyl sulfide)
| Molecular Formula | C13H14N2S2 |
|---|---|
| Molecular Weight | 262.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.05984 |
| Heavy Atoms | 17 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 57491-68-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)SCSC2=CC=CC=C2N |
| InChIKey | NBZBEJOKMAJWOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2'-(亚甲基双硫)双苯胺 (CAS 57491-68-6), with molecular formula C13H14N2S2 and molecular weight 262.06 g/mol. IUPAC: 2-[(2-aminophenyl)sulfanylmethylsulfanyl]aniline.
Chemical Property Profile of 2,2'-(亚甲基双硫)双苯胺
Property Insights of 2,2'-(亚甲基双硫)双苯胺
The XLogP value of 3.4 indicates that 2,2'-(亚甲基双硫)双苯胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-(亚甲基双硫)双苯胺. Following Lipinski's Rule of Five, 2,2'-(亚甲基双硫)双苯胺 has 2 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 2,2'-(亚甲基双硫)双苯胺?
The CAS number of 2,2'-(亚甲基双硫)双苯胺 is 57491-68-6.
What is the molecular formula of 2,2'-(亚甲基双硫)双苯胺?
The molecular formula of 2,2'-(亚甲基双硫)双苯胺 is C13H14N2S2.
What is the molecular weight of 2,2'-(亚甲基双硫)双苯胺?
The molecular weight of 2,2'-(亚甲基双硫)双苯胺 is 262.06 g/mol.
Where can I buy 2,2'-(亚甲基双硫)双苯胺?
You can request a quote for 2,2'-(亚甲基双硫)双苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-(亚甲基双硫)双苯胺?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-(亚甲基双硫)双苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.