Acetic acid, 2-((1-imino-2-phenyl)ethylthio)-, hydrochloride
TL;DR: Acetic acid, 2-((1-imino-2-phenyl)ethylthio)-, hydrochloride (CAS 73622-62-5) is a chemical compound with molecular formula C10H12ClNO2S and molecular weight 245.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(carboxymethylsulfanyl)-2-phenylethylidene]azanium chloride
Also Known As: (1-Imino-2-phenyl)ethylthioacetic acid hydrochloride, ACETIC ACID, 2-((1-IMINO-2-PHENYL)ETHYLTHIO)-, HYDROCHLORIDE, Acetic acid, [(1-imino-2-phenylethyl)thio]-, hydrochloride, [1-(carboxymethylsulfanyl)-2-phenylethylidene]azanium chloride, RefChem:316396
| Molecular Formula | C10H12ClNO2S |
|---|---|
| Molecular Weight | 245.03 g/mol |
| LogP | -2.79 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 245.02773 |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 73622-62-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=[NH2+])SCC(=O)O.[Cl-] |
| InChIKey | YDKLAXYXQUVVGA-UHFFFAOYSA-N |
Product Overview
Acetic acid, 2-((1-imino-2-phenyl)ethylthio)-, hydrochloride (CAS 73622-62-5), with molecular formula C10H12ClNO2S and molecular weight 245.03 g/mol. IUPAC: [1-(carboxymethylsulfanyl)-2-phenylethylidene]azanium chloride.
Chemical Property Profile of Acetic acid, 2-((1-imino-2-phenyl)ethylthio)-, hydrochloride
Property Insights of Acetic acid, 2-((1-imino-2-phenyl)ethylthio)-, hydrochloride
The XLogP value of -2.79 indicates that Acetic acid, 2-((1-imino-2-phenyl)ethylthio)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 2-((1-imino-2-phenyl)ethylthio)-, hydrochloride. Following Lipinski's Rule of Five, Acetic acid, 2-((1-imino-2-phenyl)ethylthio)-, hydrochloride 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 Acetic acid, 2-((1-imino-2-phenyl)ethylthio)-, hydrochloride?
The CAS number of Acetic acid, 2-((1-imino-2-phenyl)ethylthio)-, hydrochloride is 73622-62-5.
What is the molecular formula of Acetic acid, 2-((1-imino-2-phenyl)ethylthio)-, hydrochloride?
The molecular formula of Acetic acid, 2-((1-imino-2-phenyl)ethylthio)-, hydrochloride is C10H12ClNO2S.
What is the molecular weight of Acetic acid, 2-((1-imino-2-phenyl)ethylthio)-, hydrochloride?
The molecular weight of Acetic acid, 2-((1-imino-2-phenyl)ethylthio)-, hydrochloride is 245.03 g/mol.
Where can I buy Acetic acid, 2-((1-imino-2-phenyl)ethylthio)-, hydrochloride?
You can request a quote for Acetic acid, 2-((1-imino-2-phenyl)ethylthio)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-((1-imino-2-phenyl)ethylthio)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-((1-imino-2-phenyl)ethylthio)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.