![2-(2-Pyridinyl)ethyl [3,5-bis(methylthio)-4-isothiazolyl]carbamate structure](/static/products/3125/312587-10-3.webp)
2-(2-Pyridinyl)ethyl [3,5-bis(methylthio)-4-isothiazolyl]carbamate
TL;DR: 2-(2-Pyridinyl)ethyl [3,5-bis(methylthio)-4-isothiazolyl]carbamate (CAS 312587-10-3) is a chemical compound with molecular formula C13H15N3O2S3 and molecular weight 341.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyridin-2-ylethyl N-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]carbamate
Also Known As: ChemDiv2_005040, CBKinase1_000963, CBKinase1_013363, IDI1_003755, 2-(2-pyridinyl)ethyl [3,5-bis(methylthio)-4-isothiazolyl]carbamate
| Molecular Formula | C13H15N3O2S3 |
|---|---|
| Molecular Weight | 341.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 341.03265 |
| Heavy Atoms | 21 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 312587-10-3 |
|---|---|
| SMILES | CSC1=C(C(=NS1)SC)NC(=O)OCCC2=CC=CC=N2 |
| InChIKey | WJHLASSIPVZDID-UHFFFAOYSA-N |
Product Overview
2-(2-Pyridinyl)ethyl [3,5-bis(methylthio)-4-isothiazolyl]carbamate (CAS 312587-10-3), with molecular formula C13H15N3O2S3 and molecular weight 341.03 g/mol. IUPAC: 2-pyridin-2-ylethyl N-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]carbamate.
Chemical Property Profile of 2-(2-Pyridinyl)ethyl [3,5-bis(methylthio)-4-isothiazolyl]carbamate
Property Insights of 2-(2-Pyridinyl)ethyl [3,5-bis(methylthio)-4-isothiazolyl]carbamate
The XLogP value of 3.2 indicates that 2-(2-Pyridinyl)ethyl [3,5-bis(methylthio)-4-isothiazolyl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting 2-(2-Pyridinyl)ethyl [3,5-bis(methylthio)-4-isothiazolyl]carbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2-Pyridinyl)ethyl [3,5-bis(methylthio)-4-isothiazolyl]carbamate has 1 hydrogen bond donor(s) and 7 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 2-(2-Pyridinyl)ethyl [3,5-bis(methylthio)-4-isothiazolyl]carbamate?
The CAS number of 2-(2-Pyridinyl)ethyl [3,5-bis(methylthio)-4-isothiazolyl]carbamate is 312587-10-3.
What is the molecular formula of 2-(2-Pyridinyl)ethyl [3,5-bis(methylthio)-4-isothiazolyl]carbamate?
The molecular formula of 2-(2-Pyridinyl)ethyl [3,5-bis(methylthio)-4-isothiazolyl]carbamate is C13H15N3O2S3.
What is the molecular weight of 2-(2-Pyridinyl)ethyl [3,5-bis(methylthio)-4-isothiazolyl]carbamate?
The molecular weight of 2-(2-Pyridinyl)ethyl [3,5-bis(methylthio)-4-isothiazolyl]carbamate is 341.03 g/mol.
Where can I buy 2-(2-Pyridinyl)ethyl [3,5-bis(methylthio)-4-isothiazolyl]carbamate?
You can request a quote for 2-(2-Pyridinyl)ethyl [3,5-bis(methylthio)-4-isothiazolyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Pyridinyl)ethyl [3,5-bis(methylthio)-4-isothiazolyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Pyridinyl)ethyl [3,5-bis(methylthio)-4-isothiazolyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.