3,5-Di(methylthio)isothiazole-4-carboxamide
TL;DR: 3,5-Di(methylthio)isothiazole-4-carboxamide (CAS 4886-14-0) is a chemical compound with molecular formula C6H8N2OS3 and molecular weight 219.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
Also Known As: 3,5-di(methylthio)isothiazole-4-carboxamide, Maybridge1_007559, 4-hex-1-ynylbenzonitrile, 3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide, bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
| Molecular Formula | C6H8N2OS3 |
|---|---|
| Molecular Weight | 219.98 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.97987 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 4886-14-0 |
|---|---|
| SMILES | CSC1=C(C(=NS1)SC)C(=O)N |
| InChIKey | BCSXDEAYNLDINS-UHFFFAOYSA-N |
Product Overview
3,5-Di(methylthio)isothiazole-4-carboxamide (CAS 4886-14-0), with molecular formula C6H8N2OS3 and molecular weight 219.98 g/mol. IUPAC: 3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide.
Chemical Property Profile of 3,5-Di(methylthio)isothiazole-4-carboxamide
Property Insights of 3,5-Di(methylthio)isothiazole-4-carboxamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Di(methylthio)isothiazole-4-carboxamide. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Di(methylthio)isothiazole-4-carboxamide. Following Lipinski's Rule of Five, 3,5-Di(methylthio)isothiazole-4-carboxamide has 1 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 3,5-Di(methylthio)isothiazole-4-carboxamide?
The CAS number of 3,5-Di(methylthio)isothiazole-4-carboxamide is 4886-14-0.
What is the molecular formula of 3,5-Di(methylthio)isothiazole-4-carboxamide?
The molecular formula of 3,5-Di(methylthio)isothiazole-4-carboxamide is C6H8N2OS3.
What is the molecular weight of 3,5-Di(methylthio)isothiazole-4-carboxamide?
The molecular weight of 3,5-Di(methylthio)isothiazole-4-carboxamide is 219.98 g/mol.
Where can I buy 3,5-Di(methylthio)isothiazole-4-carboxamide?
You can request a quote for 3,5-Di(methylthio)isothiazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Di(methylthio)isothiazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Di(methylthio)isothiazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.