Xtt tetrazolium

4-methoxy-5-[3-(2-methoxy-4-nitro-5-sulfophenyl)-5-(phenylcarbamoyl)tetrazol-2-ium-2-yl]-2-nitrobenzenesulfonate

CAS: 117038-70-7

Molecular Formula	`C22H17N7O13S2`
Molecular Weight	651.5 g/mol
LogP	2.9
Topological Polar Surface Area	302.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	15
Rotatable Bonds	7
Exact Mass	651.0326
Heavy Atoms	44
Complexity	1260.0

Chemical Identifiers

CAS Number	117038-70-7
SMILES	`COC1=CC(=C(C=C1N2N=C(N=[N+]2C3=CC(=C(C=C3OC)[N+](=O)[O-])S(=O)(=O)[O-])C(=O)NC4=CC=CC=C4)S(=O)(=O)O)[N+](=O)[O-]`
InChIKey	`CFBVWCHTNQHZLT-UHFFFAOYSA-N`

📖 Product Overview

Xtt tetrazolium (CAS: 117038-70-7) is a chemical compound with molecular formula C22H17N7O13S2 and molecular weight 651.5 g/mol. Its IUPAC systematic name is 4-methoxy-5-[3-(2-methoxy-4-nitro-5-sulfophenyl)-5-(phenylcarbamoyl)tetrazol-2-ium-2-yl]-2-nitrobenzenesulfonate. LogP 2.9 Topological Polar Surface Area 302.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 15 Rotatable Bonds 7 Exact Mass 651.0326 Heavy Atoms 44 Complexity 1260.0 InChI Key: CFBVWCHTNQHZLT-UHFFFAOYSA-N. SMILES: COC1=CC(=C(C=C1N2N=C(N=[N+]2C3=CC(=C(C=C3OC)[N+](=O)[O-])S(=O)(=O)[O-])C(=O)NC4=CC=CC=C4)S(=O)(=O)O)[N+](=O)[O-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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