S-(2-Aminoethyl) chloroethanethioate--hydrogen chloride (1/1)
TL;DR: S-(2-Aminoethyl) chloroethanethioate--hydrogen chloride (1/1) (CAS 90587-64-7) is a chemical compound with molecular formula C4H9Cl2NOS and molecular weight 188.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloroacetyl)sulfanylethylazanium chloride
Also Known As: 2-(2-chloroacetyl)sulfanylethylazanium chloride, Chlorothioacetic acid S-2-aminoethyl ester hydrochloride, S-Chloroacetyl-2-mercaptoethylamine hydrochloride, Ethanethioic acid, chloro-, S-(2-aminoethyl) ester, hydrochloride, ACETIC ACID, CHLOROTHIO-, S-2-AMINOETHYL ESTER, HYDROCHLORIDE
| Molecular Formula | C4H9Cl2NOS |
|---|---|
| Molecular Weight | 188.98 g/mol |
| LogP | -3.27 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.9782 |
| Heavy Atoms | 9 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 90587-64-7 |
|---|---|
| SMILES | C(CSC(=O)CCl)[NH3+].[Cl-] |
| InChIKey | SOEBSBKTIIFFRR-UHFFFAOYSA-N |
Product Overview
S-(2-Aminoethyl) chloroethanethioate--hydrogen chloride (1/1) (CAS 90587-64-7), with molecular formula C4H9Cl2NOS and molecular weight 188.98 g/mol. IUPAC: 2-(2-chloroacetyl)sulfanylethylazanium chloride.
Chemical Property Profile of S-(2-Aminoethyl) chloroethanethioate--hydrogen chloride (1/1)
Property Insights of S-(2-Aminoethyl) chloroethanethioate--hydrogen chloride (1/1)
The XLogP value of -3.27 indicates that S-(2-Aminoethyl) chloroethanethioate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-Aminoethyl) chloroethanethioate--hydrogen chloride (1/1). Following Lipinski's Rule of Five, S-(2-Aminoethyl) chloroethanethioate--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 3 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-(2-Aminoethyl) chloroethanethioate--hydrogen chloride (1/1)?
The CAS number of S-(2-Aminoethyl) chloroethanethioate--hydrogen chloride (1/1) is 90587-64-7.
What is the molecular formula of S-(2-Aminoethyl) chloroethanethioate--hydrogen chloride (1/1)?
The molecular formula of S-(2-Aminoethyl) chloroethanethioate--hydrogen chloride (1/1) is C4H9Cl2NOS.
What is the molecular weight of S-(2-Aminoethyl) chloroethanethioate--hydrogen chloride (1/1)?
The molecular weight of S-(2-Aminoethyl) chloroethanethioate--hydrogen chloride (1/1) is 188.98 g/mol.
Where can I buy S-(2-Aminoethyl) chloroethanethioate--hydrogen chloride (1/1)?
You can request a quote for S-(2-Aminoethyl) chloroethanethioate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-Aminoethyl) chloroethanethioate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for S-(2-Aminoethyl) chloroethanethioate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.