S-propyl N-methylcarbamothioate
TL;DR: S-propyl N-methylcarbamothioate (CAS 39076-37-4) is a chemical compound with molecular formula C5H11NOS and molecular weight 133.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-propyl N-methylcarbamothioate
Also Known As: S-propyl N-methylcarbamothioate, S-Propyl methylcarbamothioate, N-methyl-1-propylsulfanyl-formamide, Carbamothioic acid, methyl-, S-propyl ester, Methyl-thiocarbamidsaeure-S-propylester
| Molecular Formula | C5H11NOS |
|---|---|
| Molecular Weight | 133.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 133.05614 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 39076-37-4 |
|---|---|
| SMILES | CCCSC(=O)NC |
| InChIKey | SFGYORSZFNRAPS-UHFFFAOYSA-N |
Product Overview
S-propyl N-methylcarbamothioate (CAS 39076-37-4), with molecular formula C5H11NOS and molecular weight 133.06 g/mol. IUPAC: S-propyl N-methylcarbamothioate.
Chemical Property Profile of S-propyl N-methylcarbamothioate
Property Insights of S-propyl N-methylcarbamothioate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-propyl N-methylcarbamothioate. With a topological polar surface area (TPSA) of 54.4 Ų, S-propyl N-methylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-propyl N-methylcarbamothioate 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 S-propyl N-methylcarbamothioate?
The CAS number of S-propyl N-methylcarbamothioate is 39076-37-4.
What is the molecular formula of S-propyl N-methylcarbamothioate?
The molecular formula of S-propyl N-methylcarbamothioate is C5H11NOS.
What is the molecular weight of S-propyl N-methylcarbamothioate?
The molecular weight of S-propyl N-methylcarbamothioate is 133.06 g/mol.
Where can I buy S-propyl N-methylcarbamothioate?
You can request a quote for S-propyl N-methylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-propyl N-methylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-propyl N-methylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.