2,5-Dihydroxythiophenol

CAT: 0024-sc-335556Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-335556Size:1 g

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CAS Number

2889-61-4

Chemical Information

2-Mercaptobenzene-1,4-diol

CAS Number	2889-61-4
PubChem CID	2736167
IUPAC Name	2-sulfanylbenzene-1,4-diol
Molecular Formula	C6H6O2S
Molecular Weight	142.18
XLogP	0.9
Topological Polar Surface Area	41.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	97

SMILES

C1=CC(=C(C=C1O)S)O

InChI

InChI=1S/C6H6O2S/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H

InChIKey

ZFQJFYYGUOXGRF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2889-61-4

CID: 2736167

Formula: C6H6O2S

MW: 142.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.18
XLogP3	0.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	142.00885060
Monoisotopic Mass	142.00885060
Topological Polar Surface Area	41.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	97.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-280677	Dimethyl 3,4-dihydroxythiophene-2,5-dicarboxylate
sc-353993	Methyl 5-cyano-3,4-dihydroxythiophene-2-carboxylate
sc-353993A	Methyl 5-cyano-3,4-dihydroxythiophene-2-carboxylate
sc-227020	5,5''-Dibromo-2,2':5',2''-terthiophene
sc-477057	2,2':5',2''-Terthiophene-5,5''-dicarboxaldehyde
sc-474109	2,2′:5′,2′′:5′′,2′′′-Quaterthiophene
sc-265954	2,2',5,5'-Tetramethylbiphenyl
sc-475235	2,2',5,5'-Tetrachlorobenzidine
sc-481796	5''-Bromo-2,2:5',2''-terthiophene-5-carboxaldehyde
sc-476209	2,2':5',2''-Terthiophene-5-carboxaldehyde

Catalog	Name
OR1079314	5,5'''-Dihexyl-2,2':5',2'':5'',2'''-quaterthiophene
OR1079313	5,5'''-Didecyl-2,2':5',2'':5'',2'''-quaterthiophene
OR1079310	5,5'''-Didodecyl-2,2':5',2'':5'',2'''-quaterthiophene
OR1042721-01	[2,2':5',2''-Terthiophene]-5,5''-dicarboxaldehyde
OR1025484-01	5,5''-Diiodo-2,2':5',2''-Terthiophene
OR92625-01	5,5''-Dibromo-2,2':5',2''-terthiophene
OR1051600	5,5'''-Di-n-octyl-2,2':5',2'':5'',2'''-quaterthiophene
QAA72102	2,2',5,5'-Tetrachlorobenzidine
419550-01	2,2',5,5'-Tetrachlorobiphenyl
OR1053628-01	2,2,5,5-Tetramethylcyclopentanone