O-(1-Methylethyl) carbamothioate
TL;DR: O-(1-Methylethyl) carbamothioate (CAS 691-61-2) is a chemical compound with molecular formula C4H9NOS and molecular weight 119.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-propan-2-yl carbamothioate
Also Known As: o-Isopropyl thiocarbamate, O-propan-2-yl carbamothioate, Thiocarbamic acid O-isopropyl ester, o-Isopropyl thiocarbamate #, O-(1-Methylethyl) carbamothioate
| Molecular Formula | C4H9NOS |
|---|---|
| Molecular Weight | 119.04 g/mol |
| LogP | 0.655 |
| Topological Polar Surface Area | 35.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 119.04048 |
| Heavy Atoms | 7 |
| Complexity | 72.09005 |
Chemical Identifiers
| CAS Number | 691-61-2 |
|---|---|
| SMILES | CC(C)OC(=S)N |
Product Overview
O-(1-Methylethyl) carbamothioate (CAS 691-61-2), with molecular formula C4H9NOS and molecular weight 119.04 g/mol. IUPAC: O-propan-2-yl carbamothioate.
Chemical Property Profile of O-(1-Methylethyl) carbamothioate
Property Insights of O-(1-Methylethyl) carbamothioate
The XLogP value of 0.655 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-(1-Methylethyl) carbamothioate. With a topological polar surface area (TPSA) of 35.25 Ų, O-(1-Methylethyl) carbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(1-Methylethyl) carbamothioate 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-(1-Methylethyl) carbamothioate?
The CAS number of O-(1-Methylethyl) carbamothioate is 691-61-2.
What is the molecular formula of O-(1-Methylethyl) carbamothioate?
The molecular formula of O-(1-Methylethyl) carbamothioate is C4H9NOS.
What is the molecular weight of O-(1-Methylethyl) carbamothioate?
The molecular weight of O-(1-Methylethyl) carbamothioate is 119.04 g/mol.
Where can I buy O-(1-Methylethyl) carbamothioate?
You can request a quote for O-(1-Methylethyl) carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(1-Methylethyl) carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(1-Methylethyl) carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.