4,4'-Thiodiphenol

CAT: 0127-OR22056-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR22056-01Size:100 g

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CAS Number

2664-63-3

Synonyms

4,4'-Sulphanediyldiphenol, 4,4'-Dihydroxydiphenyl sulphide

MDL Number

MFCD00002349

Purity

98%

Smiles

Oc1ccc(Sc2ccc(O)cc2)cc1

Chemical Information

4,4'-Thiodiphenol

4,4'-thiodiphenol is a member of phenols. It derives from a hydride of a diphenyl sulfide.

CAS Number	2664-63-3
PubChem CID	17570
IUPAC Name	4-(4-hydroxyphenyl)sulfanylphenol
Molecular Formula	C12H10O2S
Molecular Weight	218.27
XLogP	3.3
Topological Polar Surface Area	65.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	162

SMILES

C1=CC(=CC=C1O)SC2=CC=C(C=C2)O

InChI

InChI=1S/C12H10O2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H

InChIKey

VWGKEVWFBOUAND-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2664-63-3

CID: 17570

Formula: C12H10O2S

MW: 218.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.27
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	218.04015073
Monoisotopic Mass	218.04015073
Topological Polar Surface Area	65.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	162
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
OR11379	4- (Methylthio) thiophenol
PC7773-01	4- (Trifluoromethyl) thiophenol
PC6196	4- (Trifluoroacetyl) thiophenol
PC405593	4- (Pentafluorothio) thiophenol
PC7439V-01	4- (Trifluoromethoxy) thiophenol
OR10686-01	4- (tert-Butyl) thiophenol
PC1551	2-Nitro-4- (trifluoromethyl) thiophenol
PC1593W	4-Bromo-2- (trifluoromethoxy) thiophenol
OR1092776	2-Brom-4-chlor-thiophenol
PC2602	2-Amino-4- (trifluoromethyl) thiophenol

Catalog	Name
sc-267788	4,4'-Thiodiphenol
T10840-01	4,4'-Thiodiphenol 98%
HY-W099255-01	Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
25725310-100g	4,4'-Sulfonyldiphenol (4,4'-Dihydroxydiphenylsulfone)
AAA46134	4,4,4-Trifluorobutanamide
FT77427	4,4,4-Trifluorovaline
JH290997	4,4,4-Trifluorobutanal
sc-262190B	4,4,4-Trifluorobutyraldehyde
sc-262192A	4,4,4-Trifluorocrotonamide
sc-284451	4,4,4-Trifluorobutylamine