((2-Benzothiazol-2-ylthio-5-nitrophenyl)methylene)methane-1,1-dicarbonitrile
TL;DR: ((2-Benzothiazol-2-ylthio-5-nitrophenyl)methylene)methane-1,1-dicarbonitrile (CAS 1023558-35-1) is a chemical compound with molecular formula C17H8N4O2S2 and molecular weight 364.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]methylidene]propanedinitrile
Also Known As: ((2-BENZOTHIAZOL-2-YLTHIO-5-NITROPHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE, 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]methylidene]propanedinitrile, 2-[(2-benzothiazol-2-ylsulfanyl-5-nitro-phenyl)methylidene]propanedinitrile, 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]methylene]propanedinitrile, 2-{[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]methylidene}propanedinitrile
| Molecular Formula | C17H8N4O2S2 |
|---|---|
| Molecular Weight | 364.01 g/mol |
| LogP | 4.78626 |
| Topological Polar Surface Area | 103.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.00888 |
| Heavy Atoms | 25 |
| Complexity | 1040.9563 |
Chemical Identifiers
| CAS Number | 1023558-35-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=C(C#N)C#N |
Product Overview
((2-Benzothiazol-2-ylthio-5-nitrophenyl)methylene)methane-1,1-dicarbonitrile (CAS 1023558-35-1), with molecular formula C17H8N4O2S2 and molecular weight 364.01 g/mol. IUPAC: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]methylidene]propanedinitrile.
Chemical Property Profile of ((2-Benzothiazol-2-ylthio-5-nitrophenyl)methylene)methane-1,1-dicarbonitrile
Property Insights of ((2-Benzothiazol-2-ylthio-5-nitrophenyl)methylene)methane-1,1-dicarbonitrile
The XLogP value of 4.78626 indicates that ((2-Benzothiazol-2-ylthio-5-nitrophenyl)methylene)methane-1,1-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.61 Ų falls within the moderate polarity range, balancing permeability and solubility for ((2-Benzothiazol-2-ylthio-5-nitrophenyl)methylene)methane-1,1-dicarbonitrile. Following Lipinski's Rule of Five, ((2-Benzothiazol-2-ylthio-5-nitrophenyl)methylene)methane-1,1-dicarbonitrile has 0 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-Benzothiazol-2-ylthio-5-nitrophenyl)methylene)methane-1,1-dicarbonitrile?
The CAS number of ((2-Benzothiazol-2-ylthio-5-nitrophenyl)methylene)methane-1,1-dicarbonitrile is 1023558-35-1.
What is the molecular formula of ((2-Benzothiazol-2-ylthio-5-nitrophenyl)methylene)methane-1,1-dicarbonitrile?
The molecular formula of ((2-Benzothiazol-2-ylthio-5-nitrophenyl)methylene)methane-1,1-dicarbonitrile is C17H8N4O2S2.
What is the molecular weight of ((2-Benzothiazol-2-ylthio-5-nitrophenyl)methylene)methane-1,1-dicarbonitrile?
The molecular weight of ((2-Benzothiazol-2-ylthio-5-nitrophenyl)methylene)methane-1,1-dicarbonitrile is 364.01 g/mol.
Where can I buy ((2-Benzothiazol-2-ylthio-5-nitrophenyl)methylene)methane-1,1-dicarbonitrile?
You can request a quote for ((2-Benzothiazol-2-ylthio-5-nitrophenyl)methylene)methane-1,1-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((2-Benzothiazol-2-ylthio-5-nitrophenyl)methylene)methane-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for ((2-Benzothiazol-2-ylthio-5-nitrophenyl)methylene)methane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.