O-(Propan-2-yl) diethylcarbamothioate
TL;DR: O-(Propan-2-yl) diethylcarbamothioate (CAS 49634-93-7) is a chemical compound with molecular formula C8H17NOS and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-propan-2-yl N,N-diethylcarbamothioate
Also Known As: O-propan-2-yl N,N-diethylcarbamothioate, O-(Propan-2-yl) diethylcarbamothioate, N,n-diethyl-1-propan-2-yloxy-methanethioamide
| Molecular Formula | C8H17NOS |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 175.10309 |
| Heavy Atoms | 11 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 49634-93-7 |
|---|---|
| SMILES | CCN(CC)C(=S)OC(C)C |
| InChIKey | NDTVFPQWRFAKJW-UHFFFAOYSA-N |
Product Overview
O-(Propan-2-yl) diethylcarbamothioate (CAS 49634-93-7), with molecular formula C8H17NOS and molecular weight 175.10 g/mol. IUPAC: O-propan-2-yl N,N-diethylcarbamothioate.
Chemical Property Profile of O-(Propan-2-yl) diethylcarbamothioate
Property Insights of O-(Propan-2-yl) diethylcarbamothioate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-(Propan-2-yl) diethylcarbamothioate. With a topological polar surface area (TPSA) of 44.6 Ų, O-(Propan-2-yl) diethylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(Propan-2-yl) diethylcarbamothioate has 0 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-(Propan-2-yl) diethylcarbamothioate?
The CAS number of O-(Propan-2-yl) diethylcarbamothioate is 49634-93-7.
What is the molecular formula of O-(Propan-2-yl) diethylcarbamothioate?
The molecular formula of O-(Propan-2-yl) diethylcarbamothioate is C8H17NOS.
What is the molecular weight of O-(Propan-2-yl) diethylcarbamothioate?
The molecular weight of O-(Propan-2-yl) diethylcarbamothioate is 175.10 g/mol.
Where can I buy O-(Propan-2-yl) diethylcarbamothioate?
You can request a quote for O-(Propan-2-yl) diethylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(Propan-2-yl) diethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(Propan-2-yl) diethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.