Thiocarbamyl nitroblue tetrazolium
CAS Registry Number®
36889-43-7
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CAS Name
Thiocarbamyl nitroblue tetrazoliumMolecular Formula
C42H32N12O6S2.2ClCite this Page
Thiocarbamyl nitroblue tetrazolium. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=36889-43-7 (retrieved ) (CAS RN: 36889-43-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C42H30N12O6S2.2ClH/c1-59-37-23-29(11-21-35(37)51-47-41(27-7-3-25(4-8-27)39(43)61)45-49(51)31-13-17-33(18-14-31)53(55)56)30-12-22-36(38(24-30)60-2)52-48-42(28-9-5-26(6-10-28)40(44)62)46-50(52)32-15-19-34(20-16-32)54(57)58;;/h3-24H,1-2H3,(H2-2,43,44,61,62);2*1H
InChIKey
InChIKey=VTWBTCNQXRKYSS-UHFFFAOYSA-N
SMILES
O(C)C1=C(N2[N+](=NC(=N2)C3=CC=C(C(N)=S)C=C3)C4=CC=C(N(=O)=O)C=C4)C=CC(=C1)C5=CC(OC)=C(C=C5)N6[N+](=NC(=N6)C7=CC=C(C(N)=S)C=C7)C8=CC=C(N(=O)=O)C=C8.[Cl-]
Canonical SMILES
[Cl-].O=N(=O)C=1C=CC(=CC1)[N+]2=NC(=NN2C3=CC=C(C=C3OC)C=4C=CC(=C(OC)C4)N5N=C(N=[N+]5C=6C=CC(=CC6)N(=O)=O)C=7C=CC(=CC7)C(=S)N)C=8C=CC(=CC8)C(=S)N
Other Names for this Substance
- 2H-Tetrazolium, 2,2′-(3,3′-dimethoxy[1,1′-biphenyl]-4,4′-diyl)bis[5-[4-(aminothioxomethyl)phenyl]-3-(4-nitrophenyl)-, chloride (1:2)
- 2H-Tetrazolium, 2,2′-(3,3′-dimethoxy[1,1′-biphenyl]-4,4′-diyl)bis[5-[4-(aminothioxomethyl)phenyl]-3-(4-nitrophenyl)-, dichloride
- 2H-Tetrazolium, 3,3′-(3,3′-dimethoxy-4,4′-biphenylylene)bis[2-(p-nitrophenyl)-5-[p-(thiocarbamoyl)phenyl]-, dichloride
- Thiocarbamyl nitro-BT
- TC-NBT
Deleted or Replaced CAS Registry Numbers
106395-83-9, 15836-39-2, 25292-51-7, 66516-87-8
