AG000FJP

115-41-3 | 4,4′-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[1,2-benzenediol]

AG000FJP

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CAS Number	115-41-3
Catalog Number	AG000FJP(AGN-PC-0JL7JD)
Chemical Name	4,4′-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[1,2-benzenediol]
EC Number	204-088-3
IUPAC Name	4-[3-(3,4-dihydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]benzene-1,2-diol
InChI	InChI=1S/C19H14O7S/c20-14-7-5-11(9-16(14)22)19(12-6-8-15(21)17(23)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,20-23H
InChI Key	RRRCKIRSVQAAAS-UHFFFAOYSA-N
MDL Number	MFCD00005868
Molecular Formula	C19H14O7S
Molecular Weight	386.3753
NSC Number	8805
SMILES	O=S1(OC(C2=C1C=CC=C2)(C=2C=C(C(=CC2)O)O)C=2C=C(C(=CC2)O)O)=O
Synonyms	pyrocatechol violet, Pyrocatechol violet, Catechol violet, 115-41-3, Pyrocatechinsulfonephthalein, MFCD00005868, Pyrocatechol sulfonphthalein, pyrocatechol sulfonephthalein, 1,2-Benzenediol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-, J-610040, W-200883, Pyrocatechol Violet, pure, indicator grade, C19H14O7S, NSC 8805, EINECS 204-088-3, NSC 622476, AI3-63038, AC1L26MB, AC1Q6Z1O, SCHEMBL152384, DTXSID8059429, NSC8805, NSC-8805, ZINC4416161, 3H-2,1-Benzoxathiole, 3,3-bis(3,4-dihydroxyphenyl)-, 1,1-dioxide, GT7600, AKOS015901367, API0003998, SC-48022, FT-0623518, P0568, P0569, Z3723, A-7898, 4-[3-(3,4-dihydroxyphenyl)-1,1-dioxo-2,1, I14-15297, 3H-2, 3,3-bis(3,4-dihydroxyphenyl)-, 1,1-dioxide, 1, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis-, S,S-dioxide, 3,3-bis(3,4-dihydroxyphenyl)-2,1$l^{6}-benzoxathiole-1,1-dione, Pyrocatechol,4'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide, 1,2-Benzenediol,4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-, 3,3-bis(3,4-dihydroxyphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide, 1,2-Benzenediol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis-, S,S-dioxide (9CI), Pyrocatechol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide (8CI), Catechol Violet 5g, Pyrocatecholsulfonephthalein, Pyrocatecholsulfonphthalein, Pyrocatechol Violet AR 1gm, CID66993, AR-1L2837, C19-H14-O7-S, PKF, 1,2-Benzenediol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis-, S,S-dioxide, 7111-76-4,

Complexity	619
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	386.046g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	386.374g/mol
Monoisotopic Mass	386.046g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	133A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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