4,4'-Thiodibenzenethiol

CAT: 0127-OR89668-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR89668-01Size:5 g

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CAS Number

19362-77-7

MDL Number

MFCD00142119

Purity

99%

Smiles

SC1=CC=C(SC2=CC=C(S)C=C2)C=C1

Chemical Information

4,4'-Thiobisbenzenethiol

Benzenethiol, 4,4'-thiobis- is an aryl sulfide.

CAS Number	19362-77-7
PubChem CID	619483
IUPAC Name	4-(4-sulfanylphenyl)sulfanylbenzenethiol
Molecular Formula	C12H10S3
Molecular Weight	250.4
XLogP	4.4
Topological Polar Surface Area	27.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	159

SMILES

C1=CC(=CC=C1S)SC2=CC=C(C=C2)S

InChI

InChI=1S/C12H10S3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H

InChIKey

JLLMOYPIVVKFHY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19362-77-7

CID: 619483

Formula: C12H10S3

MW: 250.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.4
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	249.99446384
Monoisotopic Mass	249.99446384
Topological Polar Surface Area	27.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	159
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
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011275-01	4,4',4'',4'''-Methanetetrayltetraphenol
OR1011238-01	4,4,4,4-Silanetetrayltetrabenzaldehyde
PC4810-01	4,4,4,4',4',4'-Hexafluoro-DL-valine
PC450233-01	4,4,4,4',4',4'-Hexafluorovaline, ethyl ester
OR1001790-01	4,4',4'',4'''-Silanetetrayltetrabenzoic acid
OR1011274-01	4,4',4'',4'''-Methanetetrayltetrabenzoic Acid
IN11625	(4,4′,4′′,4′′′-Tetraaminophthalocyaninato) cobalt

Catalog	Name
290955-01	4,4'-Thiodibenzenethiol
HY-W099255-01	Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
25725310-100g	4,4'-Sulfonyldiphenol (4,4'-Dihydroxydiphenylsulfone)
JXB85075-01	4,4,4-Trifluorobutanethioamide
433631-01	4,4',4''-Methanetriyltrianiline
sc-262190	4,4,4-Trifluorobutyraldehyde
sc-476168	4,4',4''-Trihydroxytriphenylmethane
sc-262193	4,4,4-Trifluorocrotononitrile
AAA46134	4,4,4-Trifluorobutanamide
FT77427	4,4,4-Trifluorovaline