N-(4-ethoxyphenyl)-1,3-benzothiazole-2-carbothioamide
TL;DR: N-(4-ethoxyphenyl)-1,3-benzothiazole-2-carbothioamide (CAS 96450-18-9) is a chemical compound with molecular formula C16H14N2OS2 and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethoxyphenyl)-1,3-benzothiazole-2-carbothioamide
Also Known As: N-(4-ethoxyphenyl)-1,3-benzothiazole-2-carbothioamide, N-(4-ethoxyphenyl)benzo[d]thiazole-2-carbothioamide, AB00114130-01, F1329-0047
| Molecular Formula | C16H14N2OS2 |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 4.4826 |
| Topological Polar Surface Area | 34.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.05475 |
| Heavy Atoms | 21 |
| Complexity | 732.30286 |
Chemical Identifiers
| CAS Number | 96450-18-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=S)C2=NC3=CC=CC=C3S2 |
Product Overview
N-(4-ethoxyphenyl)-1,3-benzothiazole-2-carbothioamide (CAS 96450-18-9), with molecular formula C16H14N2OS2 and molecular weight 314.05 g/mol. IUPAC: N-(4-ethoxyphenyl)-1,3-benzothiazole-2-carbothioamide.
Chemical Property Profile of N-(4-ethoxyphenyl)-1,3-benzothiazole-2-carbothioamide
Property Insights of N-(4-ethoxyphenyl)-1,3-benzothiazole-2-carbothioamide
The XLogP value of 4.4826 indicates that N-(4-ethoxyphenyl)-1,3-benzothiazole-2-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.15 Ų, N-(4-ethoxyphenyl)-1,3-benzothiazole-2-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-ethoxyphenyl)-1,3-benzothiazole-2-carbothioamide 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 N-(4-ethoxyphenyl)-1,3-benzothiazole-2-carbothioamide?
The CAS number of N-(4-ethoxyphenyl)-1,3-benzothiazole-2-carbothioamide is 96450-18-9.
What is the molecular formula of N-(4-ethoxyphenyl)-1,3-benzothiazole-2-carbothioamide?
The molecular formula of N-(4-ethoxyphenyl)-1,3-benzothiazole-2-carbothioamide is C16H14N2OS2.
What is the molecular weight of N-(4-ethoxyphenyl)-1,3-benzothiazole-2-carbothioamide?
The molecular weight of N-(4-ethoxyphenyl)-1,3-benzothiazole-2-carbothioamide is 314.05 g/mol.
Where can I buy N-(4-ethoxyphenyl)-1,3-benzothiazole-2-carbothioamide?
You can request a quote for N-(4-ethoxyphenyl)-1,3-benzothiazole-2-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-ethoxyphenyl)-1,3-benzothiazole-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-ethoxyphenyl)-1,3-benzothiazole-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.