Thiocarbamyl nitro blue tetrazolium
TL;DR: Thiocarbamyl nitro blue tetrazolium (CAS 36889-43-7) is a chemical compound with molecular formula C42H32Cl2N12O6S2 and molecular weight 934.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[4-[4-[5-(4-carbamothioylphenyl)-3-(4-nitrophenyl)tetrazol-3-ium-2-yl]-3-methoxyphenyl]-2-methoxyphenyl]-3-(4-nitrophenyl)tetrazol-3-ium-5-yl]benzenecarbothioamide dichloride
Also Known As: Thiocarbamyl nitro blue tetrazolium, EINECS 253-257-8, Thiocarbamyl nitroblue tetrazolium, thio-carbamyl nitro blue tetrazolium chloride, 2H-Tetrazolium, 2,2'-(3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(5-(4-(aminothioxomethyl)phenyl)-3-(4-nitrophenyl)-, chloride (1:2)
| Molecular Formula | C42H32Cl2N12O6S2 |
|---|---|
| Molecular Weight | 934.14 g/mol |
| LogP | -0.4876 |
| Topological Polar Surface Area | 225.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 934.1386 |
| Heavy Atoms | 64 |
| Complexity | 2852.0037 |
Chemical Identifiers
| CAS Number | 36889-43-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3N=C(N=[N+]3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)C(=S)N)OC)N6N=C(N=[N+]6C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=C(C=C8)C(=S)N.[Cl-].[Cl-] |
Product Overview
Thiocarbamyl nitro blue tetrazolium (CAS 36889-43-7), with molecular formula C42H32Cl2N12O6S2 and molecular weight 934.14 g/mol. IUPAC: 4-[2-[4-[4-[5-(4-carbamothioylphenyl)-3-(4-nitrophenyl)tetrazol-3-ium-2-yl]-3-methoxyphenyl]-2-methoxyphenyl]-3-(4-nitrophenyl)tetrazol-3-ium-5-yl]benzenecarbothioamide dichloride.
Chemical Property Profile of Thiocarbamyl nitro blue tetrazolium
Property Insights of Thiocarbamyl nitro blue tetrazolium
The XLogP value of -0.4876 indicates that Thiocarbamyl nitro blue tetrazolium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 225.96 Ų indicates high polarity, suggesting Thiocarbamyl nitro blue tetrazolium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiocarbamyl nitro blue tetrazolium has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiocarbamyl nitro blue tetrazolium?
The CAS number of Thiocarbamyl nitro blue tetrazolium is 36889-43-7.
What is the molecular formula of Thiocarbamyl nitro blue tetrazolium?
The molecular formula of Thiocarbamyl nitro blue tetrazolium is C42H32Cl2N12O6S2.
What is the molecular weight of Thiocarbamyl nitro blue tetrazolium?
The molecular weight of Thiocarbamyl nitro blue tetrazolium is 934.14 g/mol.
Where can I buy Thiocarbamyl nitro blue tetrazolium?
You can request a quote for Thiocarbamyl nitro blue tetrazolium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocarbamyl nitro blue tetrazolium?
Yes, KEHONG BIO provides custom synthesis services for Thiocarbamyl nitro blue tetrazolium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.