2-((1E)-2-nitro-2-phenylvinylthio)-6-ethoxybenzothiazole
TL;DR: 2-((1E)-2-nitro-2-phenylvinylthio)-6-ethoxybenzothiazole (CAS 629628-19-9) is a chemical compound with molecular formula C17H14N2O3S2 and molecular weight 358.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethoxy-2-[(E)-2-nitro-2-phenylethenyl]sulfanyl-1,3-benzothiazole
Also Known As: 2-((1E)-2-nitro-2-phenylvinylthio)-6-ethoxybenzothiazole, (E)-6-ethoxy-2-((2-nitro-2-phenylvinyl)thio)benzo[d]thiazole, 6-ethoxy-2-[(E)-2-nitro-2-phenylethenyl]sulfanyl-1,3-benzothiazole, 6-ethoxy-2-{[(E)-2-nitro-2-phenylethenyl]sulfanyl}-1,3-benzothiazole, 6-ETHOXY-2-{[(1E)-2-NITRO-2-PHENYLETHENYL]SULFANYL}-1,3-BENZOTHIAZOLE
| Molecular Formula | C17H14N2O3S2 |
|---|---|
| Molecular Weight | 358.04 g/mol |
| LogP | 5.0624 |
| Topological Polar Surface Area | 65.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.0446 |
| Heavy Atoms | 24 |
| Complexity | 891.2469 |
Chemical Identifiers
| CAS Number | 629628-19-9 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)S/C=C(\C3=CC=CC=C3)/[N+](=O)[O-] |
Product Overview
2-((1E)-2-nitro-2-phenylvinylthio)-6-ethoxybenzothiazole (CAS 629628-19-9), with molecular formula C17H14N2O3S2 and molecular weight 358.04 g/mol. IUPAC: 6-ethoxy-2-[(E)-2-nitro-2-phenylethenyl]sulfanyl-1,3-benzothiazole.
Chemical Property Profile of 2-((1E)-2-nitro-2-phenylvinylthio)-6-ethoxybenzothiazole
Property Insights of 2-((1E)-2-nitro-2-phenylvinylthio)-6-ethoxybenzothiazole
The XLogP value of 5.0624 indicates that 2-((1E)-2-nitro-2-phenylvinylthio)-6-ethoxybenzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1E)-2-nitro-2-phenylvinylthio)-6-ethoxybenzothiazole. Following Lipinski's Rule of Five, 2-((1E)-2-nitro-2-phenylvinylthio)-6-ethoxybenzothiazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((1E)-2-nitro-2-phenylvinylthio)-6-ethoxybenzothiazole?
The CAS number of 2-((1E)-2-nitro-2-phenylvinylthio)-6-ethoxybenzothiazole is 629628-19-9.
What is the molecular formula of 2-((1E)-2-nitro-2-phenylvinylthio)-6-ethoxybenzothiazole?
The molecular formula of 2-((1E)-2-nitro-2-phenylvinylthio)-6-ethoxybenzothiazole is C17H14N2O3S2.
What is the molecular weight of 2-((1E)-2-nitro-2-phenylvinylthio)-6-ethoxybenzothiazole?
The molecular weight of 2-((1E)-2-nitro-2-phenylvinylthio)-6-ethoxybenzothiazole is 358.04 g/mol.
Where can I buy 2-((1E)-2-nitro-2-phenylvinylthio)-6-ethoxybenzothiazole?
You can request a quote for 2-((1E)-2-nitro-2-phenylvinylthio)-6-ethoxybenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1E)-2-nitro-2-phenylvinylthio)-6-ethoxybenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-((1E)-2-nitro-2-phenylvinylthio)-6-ethoxybenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.