Propanimidothioic acid, methyl ester
TL;DR: Propanimidothioic acid, methyl ester (CAS 630127-97-8) is a chemical compound with molecular formula C4H9NS and molecular weight 103.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl propanimidothioate
Also Known As: methyl propanimidothioate, Propanimidothioic acid, methyl ester, s-methyl thiopropionimidate, 1-(Methylthio)-1-propaneimine, Propanimidothioic acid methyl ester
| Molecular Formula | C4H9NS |
|---|---|
| Molecular Weight | 103.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 49.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 103.04557 |
| Heavy Atoms | 6 |
| Complexity | 51.0 |
Chemical Identifiers
| CAS Number | 630127-97-8 |
|---|---|
| SMILES | CCC(=N)SC |
| InChIKey | WSDUOQZGIBCGON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanimidothioic acid, methyl ester (CAS 630127-97-8), with molecular formula C4H9NS and molecular weight 103.05 g/mol. IUPAC: methyl propanimidothioate.
Chemical Property Profile of Propanimidothioic acid, methyl ester
Property Insights of Propanimidothioic acid, methyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanimidothioic acid, methyl ester. With a topological polar surface area (TPSA) of 49.2 Ų, Propanimidothioic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanimidothioic acid, methyl ester has 1 hydrogen bond donor(s) and 2 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 Propanimidothioic acid, methyl ester?
The CAS number of Propanimidothioic acid, methyl ester is 630127-97-8.
What is the molecular formula of Propanimidothioic acid, methyl ester?
The molecular formula of Propanimidothioic acid, methyl ester is C4H9NS.
What is the molecular weight of Propanimidothioic acid, methyl ester?
The molecular weight of Propanimidothioic acid, methyl ester is 103.05 g/mol.
Where can I buy Propanimidothioic acid, methyl ester?
You can request a quote for Propanimidothioic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanimidothioic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanimidothioic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.