![6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione structure](/static/products/6417/64178-55-8.webp)
6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione
TL;DR: 6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione (CAS 64178-55-8) is a chemical compound with molecular formula C18H14N4O2S4 and molecular weight 446.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione
Also Known As: 6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione, 6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)ami, 6-Nitro-3-[({2-[(prop-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}amino)methyl]-1,3-benzothiazole-2(3H)-thione
| Molecular Formula | C18H14N4O2S4 |
|---|---|
| Molecular Weight | 446.00 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.99997 |
| Heavy Atoms | 28 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 64178-55-8 |
|---|---|
| SMILES | C=CCSC1=NC2=C(S1)C=C(C=C2)NCN3C4=C(C=C(C=C4)[N+](=O)[O-])SC3=S |
| InChIKey | TUDUPSLKSJIQOS-UHFFFAOYSA-N |
Product Overview
6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione (CAS 64178-55-8), with molecular formula C18H14N4O2S4 and molecular weight 446.00 g/mol. IUPAC: 6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione.
Chemical Property Profile of 6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione
Property Insights of 6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione
The XLogP value of 6.0 indicates that 6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 185.0 Ų indicates high polarity, suggesting 6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione?
The CAS number of 6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione is 64178-55-8.
What is the molecular formula of 6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione?
The molecular formula of 6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione is C18H14N4O2S4.
What is the molecular weight of 6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione?
The molecular weight of 6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione is 446.00 g/mol.
Where can I buy 6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione?
You can request a quote for 6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 6-nitro-3-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.