4-Isothiazolecarboxamide, N,N-dimethyl-3,5-bis(methylthio)-
TL;DR: 4-Isothiazolecarboxamide, N,N-dimethyl-3,5-bis(methylthio)- (CAS 4886-19-5) is a chemical compound with molecular formula C8H12N2OS3 and molecular weight 248.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
Also Known As: N,N-Dimethyl-3,5-bis -4-isothiazolecarboxamide, 4-Isothiazolecarboxamide, N,N-dimethyl-3,5-bis(methylthio)-, N,N-dimethyl-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide, N,N-Dimethyl-3,5-bis(methylthio)-4-isothiazolecarboxamide, N,N-Dimethyl-3,5-bis(methylsulfanyl)-4-isothiazolecarboxamide #
| Molecular Formula | C8H12N2OS3 |
|---|---|
| Molecular Weight | 248.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.01117 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 4886-19-5 |
|---|---|
| SMILES | CN(C)C(=O)C1=C(SN=C1SC)SC |
| InChIKey | FWUBZTSFGIURPT-UHFFFAOYSA-N |
Product Overview
4-Isothiazolecarboxamide, N,N-dimethyl-3,5-bis(methylthio)- (CAS 4886-19-5), with molecular formula C8H12N2OS3 and molecular weight 248.01 g/mol. IUPAC: N,N-dimethyl-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide.
Chemical Property Profile of 4-Isothiazolecarboxamide, N,N-dimethyl-3,5-bis(methylthio)-
Property Insights of 4-Isothiazolecarboxamide, N,N-dimethyl-3,5-bis(methylthio)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isothiazolecarboxamide, N,N-dimethyl-3,5-bis(methylthio)-. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isothiazolecarboxamide, N,N-dimethyl-3,5-bis(methylthio)-. Following Lipinski's Rule of Five, 4-Isothiazolecarboxamide, N,N-dimethyl-3,5-bis(methylthio)- has 0 hydrogen bond donor(s) and 5 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 4-Isothiazolecarboxamide, N,N-dimethyl-3,5-bis(methylthio)-?
The CAS number of 4-Isothiazolecarboxamide, N,N-dimethyl-3,5-bis(methylthio)- is 4886-19-5.
What is the molecular formula of 4-Isothiazolecarboxamide, N,N-dimethyl-3,5-bis(methylthio)-?
The molecular formula of 4-Isothiazolecarboxamide, N,N-dimethyl-3,5-bis(methylthio)- is C8H12N2OS3.
What is the molecular weight of 4-Isothiazolecarboxamide, N,N-dimethyl-3,5-bis(methylthio)-?
The molecular weight of 4-Isothiazolecarboxamide, N,N-dimethyl-3,5-bis(methylthio)- is 248.01 g/mol.
Where can I buy 4-Isothiazolecarboxamide, N,N-dimethyl-3,5-bis(methylthio)-?
You can request a quote for 4-Isothiazolecarboxamide, N,N-dimethyl-3,5-bis(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isothiazolecarboxamide, N,N-dimethyl-3,5-bis(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Isothiazolecarboxamide, N,N-dimethyl-3,5-bis(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.