1-Butan-2-yloxy-N,N-diethyl-methanethioamide
TL;DR: 1-Butan-2-yloxy-N,N-diethyl-methanethioamide (CAS 91852-97-0) is a chemical compound with molecular formula C9H19NOS and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-butan-2-yl N,N-diethylcarbamothioate
Also Known As: O-Butan-2-yl diethylcarbamothioate, O-(Butan-2-yl) diethylcarbamothioate, O-butan-2-yl N,N-diethylcarbamothioate, 1-Butan-2-yloxy-N,N-diethyl-methanethioamide, DIETHYL-THIOCARBAMIC ACID S-BUTYL ESTER
| Molecular Formula | C9H19NOS |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 189.11873 |
| Heavy Atoms | 12 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 91852-97-0 |
|---|---|
| SMILES | CCC(C)OC(=S)N(CC)CC |
| InChIKey | HSTIQRYGALJPGS-UHFFFAOYSA-N |
Product Overview
1-Butan-2-yloxy-N,N-diethyl-methanethioamide (CAS 91852-97-0), with molecular formula C9H19NOS and molecular weight 189.12 g/mol. IUPAC: O-butan-2-yl N,N-diethylcarbamothioate.
Chemical Property Profile of 1-Butan-2-yloxy-N,N-diethyl-methanethioamide
Property Insights of 1-Butan-2-yloxy-N,N-diethyl-methanethioamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butan-2-yloxy-N,N-diethyl-methanethioamide. With a topological polar surface area (TPSA) of 44.6 Ų, 1-Butan-2-yloxy-N,N-diethyl-methanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butan-2-yloxy-N,N-diethyl-methanethioamide 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 1-Butan-2-yloxy-N,N-diethyl-methanethioamide?
The CAS number of 1-Butan-2-yloxy-N,N-diethyl-methanethioamide is 91852-97-0.
What is the molecular formula of 1-Butan-2-yloxy-N,N-diethyl-methanethioamide?
The molecular formula of 1-Butan-2-yloxy-N,N-diethyl-methanethioamide is C9H19NOS.
What is the molecular weight of 1-Butan-2-yloxy-N,N-diethyl-methanethioamide?
The molecular weight of 1-Butan-2-yloxy-N,N-diethyl-methanethioamide is 189.12 g/mol.
Where can I buy 1-Butan-2-yloxy-N,N-diethyl-methanethioamide?
You can request a quote for 1-Butan-2-yloxy-N,N-diethyl-methanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butan-2-yloxy-N,N-diethyl-methanethioamide?
Yes, KEHONG BIO provides custom synthesis services for 1-Butan-2-yloxy-N,N-diethyl-methanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.