Propanoic acid, 3-((chlorocarbonyl)thio)-, methyl ester
TL;DR: Propanoic acid, 3-((chlorocarbonyl)thio)-, methyl ester (CAS 71850-76-5) is a chemical compound with molecular formula C5H7ClO3S and molecular weight 181.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-carbonochloridoylsulfanylpropanoate
Also Known As: methyl 3-carbonochloridoylsulfanylpropanoate, Propanoic acid, 3-((chlorocarbonyl)thio)-, methyl ester, Propanoic acid, 3-[(chlorocarbonyl)thio]-, methyl ester, METHYL 3-[(CHLOROCARBONYL)SULFANYL]PROPANOATE, 3-[(Chlorocarbonyl)thio]propanoic acid methyl ester
| Molecular Formula | C5H7ClO3S |
|---|---|
| Molecular Weight | 181.98 g/mol |
| LogP | 1.6415 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.98044 |
| Heavy Atoms | 10 |
| Complexity | 136.85475 |
Chemical Identifiers
| CAS Number | 71850-76-5 |
|---|---|
| SMILES | COC(=O)CCSC(=O)Cl |
Product Overview
Propanoic acid, 3-((chlorocarbonyl)thio)-, methyl ester (CAS 71850-76-5), with molecular formula C5H7ClO3S and molecular weight 181.98 g/mol. IUPAC: methyl 3-carbonochloridoylsulfanylpropanoate.
Chemical Property Profile of Propanoic acid, 3-((chlorocarbonyl)thio)-, methyl ester
Property Insights of Propanoic acid, 3-((chlorocarbonyl)thio)-, methyl ester
The XLogP value of 1.6415 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-((chlorocarbonyl)thio)-, methyl ester. With a topological polar surface area (TPSA) of 43.37 Ų, Propanoic acid, 3-((chlorocarbonyl)thio)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 3-((chlorocarbonyl)thio)-, methyl ester has 0 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 Propanoic acid, 3-((chlorocarbonyl)thio)-, methyl ester?
The CAS number of Propanoic acid, 3-((chlorocarbonyl)thio)-, methyl ester is 71850-76-5.
What is the molecular formula of Propanoic acid, 3-((chlorocarbonyl)thio)-, methyl ester?
The molecular formula of Propanoic acid, 3-((chlorocarbonyl)thio)-, methyl ester is C5H7ClO3S.
What is the molecular weight of Propanoic acid, 3-((chlorocarbonyl)thio)-, methyl ester?
The molecular weight of Propanoic acid, 3-((chlorocarbonyl)thio)-, methyl ester is 181.98 g/mol.
Where can I buy Propanoic acid, 3-((chlorocarbonyl)thio)-, methyl ester?
You can request a quote for Propanoic acid, 3-((chlorocarbonyl)thio)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3-((chlorocarbonyl)thio)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-((chlorocarbonyl)thio)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.