Pyrocatechol violet

4-[3-(3,4-dihydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]benzene-1,2-diol

CAS: 115-41-3

Molecular Formula	`C19H14O7S`
Molecular Weight	386.4 g/mol
LogP	2.3
Topological Polar Surface Area	133.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	2
Exact Mass	386.04602
Heavy Atoms	27
Complexity	619.0

Chemical Identifiers

CAS Number	115-41-3
SMILES	`C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C=C3)O)O)C4=CC(=C(C=C4)O)O`
InChIKey	`RRRCKIRSVQAAAS-UHFFFAOYSA-N`

📖 Product Overview

Pyrocatechol violet (CAS: 115-41-3) is a chemical compound with molecular formula C19H14O7S and molecular weight 386.4 g/mol. Its IUPAC systematic name is 4-[3-(3,4-dihydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]benzene-1,2-diol. LogP 2.3 Topological Polar Surface Area 133.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 7 Rotatable Bonds 2 Exact Mass 386.04602 Heavy Atoms 27 Complexity 619.0 InChI Key: RRRCKIRSVQAAAS-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C=C3)O)O)C4=CC(=C(C=C4)O)O.

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