1-butan-2-yloxy-N-methyl-N-(1-phenylethyl)methanethioamide
TL;DR: 1-butan-2-yloxy-N-methyl-N-(1-phenylethyl)methanethioamide (CAS 93589-60-7) is a chemical compound with molecular formula C14H21NOS and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-butan-2-yl N-methyl-N-(1-phenylethyl)carbamothioate
Also Known As: 1-butan-2-yloxy-N-methyl-N-(1-phenylethyl)methanethioamide, O-butan-2-yl methyl(1-phenylethyl)carbamothioate, O-(Butan-2-yl) methyl(1-phenylethyl)carbamothioate, O-butan-2-yl N-methyl-N-(1-phenylethyl)carbamothioate
| Molecular Formula | C14H21NOS |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.13438 |
| Heavy Atoms | 17 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 93589-60-7 |
|---|---|
| SMILES | CCC(C)OC(=S)N(C)C(C)C1=CC=CC=C1 |
| InChIKey | RXROJANDZMHGOD-UHFFFAOYSA-N |
Product Overview
1-butan-2-yloxy-N-methyl-N-(1-phenylethyl)methanethioamide (CAS 93589-60-7), with molecular formula C14H21NOS and molecular weight 251.13 g/mol. IUPAC: O-butan-2-yl N-methyl-N-(1-phenylethyl)carbamothioate.
Chemical Property Profile of 1-butan-2-yloxy-N-methyl-N-(1-phenylethyl)methanethioamide
Property Insights of 1-butan-2-yloxy-N-methyl-N-(1-phenylethyl)methanethioamide
The XLogP value of 3.9 indicates that 1-butan-2-yloxy-N-methyl-N-(1-phenylethyl)methanethioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.6 Ų, 1-butan-2-yloxy-N-methyl-N-(1-phenylethyl)methanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-butan-2-yloxy-N-methyl-N-(1-phenylethyl)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-methyl-N-(1-phenylethyl)methanethioamide?
The CAS number of 1-butan-2-yloxy-N-methyl-N-(1-phenylethyl)methanethioamide is 93589-60-7.
What is the molecular formula of 1-butan-2-yloxy-N-methyl-N-(1-phenylethyl)methanethioamide?
The molecular formula of 1-butan-2-yloxy-N-methyl-N-(1-phenylethyl)methanethioamide is C14H21NOS.
What is the molecular weight of 1-butan-2-yloxy-N-methyl-N-(1-phenylethyl)methanethioamide?
The molecular weight of 1-butan-2-yloxy-N-methyl-N-(1-phenylethyl)methanethioamide is 251.13 g/mol.
Where can I buy 1-butan-2-yloxy-N-methyl-N-(1-phenylethyl)methanethioamide?
You can request a quote for 1-butan-2-yloxy-N-methyl-N-(1-phenylethyl)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-methyl-N-(1-phenylethyl)methanethioamide?
Yes, KEHONG BIO provides custom synthesis services for 1-butan-2-yloxy-N-methyl-N-(1-phenylethyl)methanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.