Ethanesulfonic acid--5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline (2/1)
TL;DR: Ethanesulfonic acid--5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline (2/1) (CAS 100417-10-5) is a chemical compound with molecular formula C13H22ClN3O6S3 and molecular weight 447.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline;ethanesulfonic acid
Also Known As: EGYT 4201, 2-Imino-3-(2'-amino-4'-chlorophenyl)thiazolidine diesilate, Ethanesulfonic acid, compd. with 5-chloro-2-(2-imino-3-thiazolidinyl)benzenamine (2:1), Ethanesulfonic acid--5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline (2/1), 5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline,ethanesulfonic acid
| Molecular Formula | C13H22ClN3O6S3 |
|---|---|
| Molecular Weight | 447.04 g/mol |
| LogP | 2.19837 |
| Topological Polar Surface Area | 161.85 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 447.03592 |
| Heavy Atoms | 26 |
| Complexity | 782.41345 |
Chemical Identifiers
| CAS Number | 100417-10-5 |
|---|---|
| SMILES | CCS(=O)(=O)O.CCS(=O)(=O)O.C1CSC(=N)N1C2=C(C=C(C=C2)Cl)N |
Product Overview
Ethanesulfonic acid--5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline (2/1) (CAS 100417-10-5), with molecular formula C13H22ClN3O6S3 and molecular weight 447.04 g/mol. IUPAC: 5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline;ethanesulfonic acid.
Chemical Property Profile of Ethanesulfonic acid--5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline (2/1)
Property Insights of Ethanesulfonic acid--5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline (2/1)
The XLogP value of 2.19837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanesulfonic acid--5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline (2/1). The TPSA of 161.85 Ų indicates high polarity, suggesting Ethanesulfonic acid--5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline (2/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethanesulfonic acid--5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline (2/1) has 4 hydrogen bond donor(s) and 7 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 Ethanesulfonic acid--5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline (2/1)?
The CAS number of Ethanesulfonic acid--5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline (2/1) is 100417-10-5.
What is the molecular formula of Ethanesulfonic acid--5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline (2/1)?
The molecular formula of Ethanesulfonic acid--5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline (2/1) is C13H22ClN3O6S3.
What is the molecular weight of Ethanesulfonic acid--5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline (2/1)?
The molecular weight of Ethanesulfonic acid--5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline (2/1) is 447.04 g/mol.
Where can I buy Ethanesulfonic acid--5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline (2/1)?
You can request a quote for Ethanesulfonic acid--5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline (2/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanesulfonic acid--5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline (2/1)?
Yes, KEHONG BIO provides custom synthesis services for Ethanesulfonic acid--5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline (2/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.