Butocarboxim
TL;DR: Butocarboxim (CAS 34681-10-2) is a chemical compound with molecular formula C7H14N2O2S and molecular weight 190.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylsulfanylbutan-2-ylideneamino) N-methylcarbamate
Also Known As: BUTOCARBOXIM, Butocarboxime, Afiline, Butocarboxim-d3, DRAWIN
| Molecular Formula | C7H14N2O2S |
|---|---|
| Molecular Weight | 190.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.0776 |
| Heavy Atoms | 12 |
| Complexity | 182.0 |
| Melting Point | 37 °C ((E)- isomer); ((Z)- isomer is an oil at room temperature) |
| Density | 1.12 (20 °C) |
| Solubility | Soluble in most organic solvents. |
| Vapor Pressure | 0.0000795 [mmHg] |
Chemical Identifiers
| CAS Number | 34681-10-2 |
|---|---|
| SMILES | CC(C(=NOC(=O)NC)C)SC |
| InChIKey | SFNPDDSJBGRXLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butocarboxim (CAS 34681-10-2), with molecular formula C7H14N2O2S and molecular weight 190.08 g/mol. IUPAC: (3-methylsulfanylbutan-2-ylideneamino) N-methylcarbamate.
Chemical Property Profile of Butocarboxim
Property Insights of Butocarboxim
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butocarboxim. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butocarboxim. Following Lipinski's Rule of Five, Butocarboxim has 1 hydrogen bond donor(s) and 4 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 Butocarboxim?
The CAS number of Butocarboxim is 34681-10-2.
What is the molecular formula of Butocarboxim?
The molecular formula of Butocarboxim is C7H14N2O2S.
What is the molecular weight of Butocarboxim?
The molecular weight of Butocarboxim is 190.08 g/mol.
Where can I buy Butocarboxim?
You can request a quote for Butocarboxim directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butocarboxim?
Yes, KEHONG BIO provides custom synthesis services for Butocarboxim and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.