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Methyl 2-[(3-amino-3-thioxopropyl)thio]acetate
TL;DR: Methyl 2-[(3-amino-3-thioxopropyl)thio]acetate (CAS 175202-95-6) is a chemical compound with molecular formula C6H11NO2S2 and molecular weight 193.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-amino-3-sulfanylidenepropyl)sulfanylacetate
Also Known As: Maybridge1_005037, methyl 2-[(3-amino-3-thioxopropyl)thio]acetate, 5744AD, Methyl 2-((3-amino-3-thioxopropyl)thio)acetate, methyl 2-(3-amino-3-sulfanylidenepropyl)sulfanylacetate
| Molecular Formula | C6H11NO2S2 |
|---|---|
| Molecular Weight | 193.02 g/mol |
| LogP | 0.5688 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 193.02312 |
| Heavy Atoms | 11 |
| Complexity | 149.51772 |
Chemical Identifiers
| CAS Number | 175202-95-6 |
|---|---|
| SMILES | COC(=O)CSCCC(=S)N |
Product Overview
Methyl 2-[(3-amino-3-thioxopropyl)thio]acetate (CAS 175202-95-6), with molecular formula C6H11NO2S2 and molecular weight 193.02 g/mol. IUPAC: methyl 2-(3-amino-3-sulfanylidenepropyl)sulfanylacetate.
Chemical Property Profile of Methyl 2-[(3-amino-3-thioxopropyl)thio]acetate
Property Insights of Methyl 2-[(3-amino-3-thioxopropyl)thio]acetate
The XLogP value of 0.5688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(3-amino-3-thioxopropyl)thio]acetate. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 2-[(3-amino-3-thioxopropyl)thio]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[(3-amino-3-thioxopropyl)thio]acetate has 1 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 Methyl 2-[(3-amino-3-thioxopropyl)thio]acetate?
The CAS number of Methyl 2-[(3-amino-3-thioxopropyl)thio]acetate is 175202-95-6.
What is the molecular formula of Methyl 2-[(3-amino-3-thioxopropyl)thio]acetate?
The molecular formula of Methyl 2-[(3-amino-3-thioxopropyl)thio]acetate is C6H11NO2S2.
What is the molecular weight of Methyl 2-[(3-amino-3-thioxopropyl)thio]acetate?
The molecular weight of Methyl 2-[(3-amino-3-thioxopropyl)thio]acetate is 193.02 g/mol.
Where can I buy Methyl 2-[(3-amino-3-thioxopropyl)thio]acetate?
You can request a quote for Methyl 2-[(3-amino-3-thioxopropyl)thio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(3-amino-3-thioxopropyl)thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(3-amino-3-thioxopropyl)thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.