![N-{2-[(3-methylbutyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide structure](/static/products/104/104208-27-7.png)
N-{2-[(3-methylbutyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide
TL;DR: N-{2-[(3-methylbutyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide (CAS 104208-27-7) is a chemical compound with molecular formula C19H20N2OS2 and molecular weight 356.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]benzamide
Also Known As: N-(2-(isopentylthio)benzo[d]thiazol-6-yl)benzamide, N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]benzamide, N-{2-[(3-methylbutyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide
| Molecular Formula | C19H20N2OS2 |
|---|---|
| Molecular Weight | 356.10 g/mol |
| LogP | 5.6868 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.1017 |
| Heavy Atoms | 24 |
| Complexity | 827.7589 |
Chemical Identifiers
| CAS Number | 104208-27-7 |
|---|---|
| SMILES | CC(C)CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3 |
Product Overview
N-{2-[(3-methylbutyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide (CAS 104208-27-7), with molecular formula C19H20N2OS2 and molecular weight 356.10 g/mol. IUPAC: N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]benzamide.
Chemical Property Profile of N-{2-[(3-methylbutyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide
Property Insights of N-{2-[(3-methylbutyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide
The XLogP value of 5.6868 indicates that N-{2-[(3-methylbutyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, N-{2-[(3-methylbutyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{2-[(3-methylbutyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{2-[(3-methylbutyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide?
The CAS number of N-{2-[(3-methylbutyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide is 104208-27-7.
What is the molecular formula of N-{2-[(3-methylbutyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide?
The molecular formula of N-{2-[(3-methylbutyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide is C19H20N2OS2.
What is the molecular weight of N-{2-[(3-methylbutyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide?
The molecular weight of N-{2-[(3-methylbutyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide is 356.10 g/mol.
Where can I buy N-{2-[(3-methylbutyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide?
You can request a quote for N-{2-[(3-methylbutyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{2-[(3-methylbutyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{2-[(3-methylbutyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.