Bis(2-aminoethylsulfanyl)methanone
TL;DR: Bis(2-aminoethylsulfanyl)methanone (CAS 13889-99-1) is a chemical compound with molecular formula C5H12N2OS2 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-aminoethylsulfanyl)methanone
Also Known As: bis(2-aminoethylsulfanyl)methanone, 1-(piperazin-1-yl)ethanone, S,S-Bis(2-aminoethyl) carbonodithioate, Carbonodithioic acid,S,S-bis(2-aminoethyl) ester, dihydrochloride (9CI)
| Molecular Formula | C5H12N2OS2 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 180.03911 |
| Heavy Atoms | 10 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 13889-99-1 |
|---|---|
| SMILES | C(CSC(=O)SCCN)N |
| InChIKey | XQMKAHQHYXGXGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(2-aminoethylsulfanyl)methanone (CAS 13889-99-1), with molecular formula C5H12N2OS2 and molecular weight 180.04 g/mol. IUPAC: bis(2-aminoethylsulfanyl)methanone.
Chemical Property Profile of Bis(2-aminoethylsulfanyl)methanone
Property Insights of Bis(2-aminoethylsulfanyl)methanone
The XLogP value of -0.3 indicates that Bis(2-aminoethylsulfanyl)methanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(2-aminoethylsulfanyl)methanone. Following Lipinski's Rule of Five, Bis(2-aminoethylsulfanyl)methanone has 2 hydrogen bond donor(s) and 5 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 Bis(2-aminoethylsulfanyl)methanone?
The CAS number of Bis(2-aminoethylsulfanyl)methanone is 13889-99-1.
What is the molecular formula of Bis(2-aminoethylsulfanyl)methanone?
The molecular formula of Bis(2-aminoethylsulfanyl)methanone is C5H12N2OS2.
What is the molecular weight of Bis(2-aminoethylsulfanyl)methanone?
The molecular weight of Bis(2-aminoethylsulfanyl)methanone is 180.04 g/mol.
Where can I buy Bis(2-aminoethylsulfanyl)methanone?
You can request a quote for Bis(2-aminoethylsulfanyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-aminoethylsulfanyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-aminoethylsulfanyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.