Carbamothioic acid, butyl-, S-butyl ester
TL;DR: Carbamothioic acid, butyl-, S-butyl ester (CAS 39078-76-7) 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-butylcarbamothioate
Also Known As: Carbamothioic acid, butyl-, S-butyl ester, O-butan-2-yl N-butylcarbamothioate, 1-butan-2-yloxy-N-butyl-methanethioamide, O-Butan-2-yl hydrogen butylcarbonimidothioate, O-(Butan-2-yl) hydrogen butylcarbonimidothioate
| Molecular Formula | C9H19NOS |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 2.4761 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 189.11873 |
| Heavy Atoms | 12 |
| Complexity | 127.696945 |
Chemical Identifiers
| CAS Number | 39078-76-7 |
|---|---|
| SMILES | CCCCNC(=S)OC(C)CC |
Product Overview
Carbamothioic acid, butyl-, S-butyl ester (CAS 39078-76-7), with molecular formula C9H19NOS and molecular weight 189.12 g/mol. IUPAC: O-butan-2-yl N-butylcarbamothioate.
Chemical Property Profile of Carbamothioic acid, butyl-, S-butyl ester
Property Insights of Carbamothioic acid, butyl-, S-butyl ester
The XLogP value of 2.4761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamothioic acid, butyl-, S-butyl ester. With a topological polar surface area (TPSA) of 21.26 Ų, Carbamothioic acid, butyl-, S-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, butyl-, S-butyl ester 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 Carbamothioic acid, butyl-, S-butyl ester?
The CAS number of Carbamothioic acid, butyl-, S-butyl ester is 39078-76-7.
What is the molecular formula of Carbamothioic acid, butyl-, S-butyl ester?
The molecular formula of Carbamothioic acid, butyl-, S-butyl ester is C9H19NOS.
What is the molecular weight of Carbamothioic acid, butyl-, S-butyl ester?
The molecular weight of Carbamothioic acid, butyl-, S-butyl ester is 189.12 g/mol.
Where can I buy Carbamothioic acid, butyl-, S-butyl ester?
You can request a quote for Carbamothioic acid, butyl-, S-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamothioic acid, butyl-, S-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, butyl-, S-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.