O-pentan-2-yl N-methylcarbamothioate
TL;DR: O-pentan-2-yl N-methylcarbamothioate (CAS 120903-85-7) is a chemical compound with molecular formula C7H15NOS and molecular weight 161.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-pentan-2-yl N-methylcarbamothioate
Also Known As: O-pentan-2-yl N-methylcarbamothioate, N-methyl-1-pentan-2-yloxy-methanethioamide, O-Pentan-2-yl hydrogen methylcarbonimidothioate, O-(Pentan-2-yl) hydrogen methylcarbonimidothioate
| Molecular Formula | C7H15NOS |
|---|---|
| Molecular Weight | 161.09 g/mol |
| LogP | 1.6959 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 161.08743 |
| Heavy Atoms | 10 |
| Complexity | 105.77923 |
Chemical Identifiers
| CAS Number | 120903-85-7 |
|---|---|
| SMILES | CCCC(C)OC(=S)NC |
Product Overview
O-pentan-2-yl N-methylcarbamothioate (CAS 120903-85-7), with molecular formula C7H15NOS and molecular weight 161.09 g/mol. IUPAC: O-pentan-2-yl N-methylcarbamothioate.
Chemical Property Profile of O-pentan-2-yl N-methylcarbamothioate
Property Insights of O-pentan-2-yl N-methylcarbamothioate
The XLogP value of 1.6959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-pentan-2-yl N-methylcarbamothioate. With a topological polar surface area (TPSA) of 21.26 Ų, O-pentan-2-yl N-methylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-pentan-2-yl 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 O-pentan-2-yl N-methylcarbamothioate?
The CAS number of O-pentan-2-yl N-methylcarbamothioate is 120903-85-7.
What is the molecular formula of O-pentan-2-yl N-methylcarbamothioate?
The molecular formula of O-pentan-2-yl N-methylcarbamothioate is C7H15NOS.
What is the molecular weight of O-pentan-2-yl N-methylcarbamothioate?
The molecular weight of O-pentan-2-yl N-methylcarbamothioate is 161.09 g/mol.
Where can I buy O-pentan-2-yl N-methylcarbamothioate?
You can request a quote for O-pentan-2-yl N-methylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-pentan-2-yl N-methylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-pentan-2-yl N-methylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.