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Benzenemethanesulfinic acid, 2,2'-[trithiobis(methylene)]bis-
TL;DR: Benzenemethanesulfinic acid, 2,2'-[trithiobis(methylene)]bis- (CAS 36540-22-4) is a chemical compound with molecular formula C16H18O4S5 and molecular weight 433.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[[2-(sulfinomethyl)phenyl]methyltrisulfanyl]methyl]phenyl]methanesulfinic acid
Also Known As: Benzenemethanesulfinic acid, 2,2'-[trithiobis(methylene)]bis-, [2-[[[2-(sulfinomethyl)phenyl]methyltrisulfanyl]methyl]phenyl]methanesulfinic acid, (2-((3-(2-(Sulfinomethyl)benzyl)trisulfanyl)methyl)phenyl)methanesulfinic acid, Benzenemethanesulfinic acid, {2,2'-[trithiobis(methylene)]bis-,} disodium salt, Benzenemethanesulfinic acid, 2,2'-[trithiobis(methylene)]bis-, disodium salt
| Molecular Formula | C16H18O4S5 |
|---|---|
| Molecular Weight | 433.98 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 433.98087 |
| Heavy Atoms | 25 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 36540-22-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSSSCC2=CC=CC=C2CS(=O)O)CS(=O)O |
| InChIKey | NJGUBKDGOVFDAZ-UHFFFAOYSA-N |
Product Overview
Benzenemethanesulfinic acid, 2,2'-[trithiobis(methylene)]bis- (CAS 36540-22-4), with molecular formula C16H18O4S5 and molecular weight 433.98 g/mol. IUPAC: [2-[[[2-(sulfinomethyl)phenyl]methyltrisulfanyl]methyl]phenyl]methanesulfinic acid.
Chemical Property Profile of Benzenemethanesulfinic acid, 2,2'-[trithiobis(methylene)]bis-
Property Insights of Benzenemethanesulfinic acid, 2,2'-[trithiobis(methylene)]bis-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanesulfinic acid, 2,2'-[trithiobis(methylene)]bis-. The TPSA of 189.0 Ų indicates high polarity, suggesting Benzenemethanesulfinic acid, 2,2'-[trithiobis(methylene)]bis- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenemethanesulfinic acid, 2,2'-[trithiobis(methylene)]bis- has 2 hydrogen bond donor(s) and 9 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 Benzenemethanesulfinic acid, 2,2'-[trithiobis(methylene)]bis-?
The CAS number of Benzenemethanesulfinic acid, 2,2'-[trithiobis(methylene)]bis- is 36540-22-4.
What is the molecular formula of Benzenemethanesulfinic acid, 2,2'-[trithiobis(methylene)]bis-?
The molecular formula of Benzenemethanesulfinic acid, 2,2'-[trithiobis(methylene)]bis- is C16H18O4S5.
What is the molecular weight of Benzenemethanesulfinic acid, 2,2'-[trithiobis(methylene)]bis-?
The molecular weight of Benzenemethanesulfinic acid, 2,2'-[trithiobis(methylene)]bis- is 433.98 g/mol.
Where can I buy Benzenemethanesulfinic acid, 2,2'-[trithiobis(methylene)]bis-?
You can request a quote for Benzenemethanesulfinic acid, 2,2'-[trithiobis(methylene)]bis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanesulfinic acid, 2,2'-[trithiobis(methylene)]bis-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanesulfinic acid, 2,2'-[trithiobis(methylene)]bis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.