4-tert-Butylbenzenethiol - CAS 2396-68-1

Catalog:	BB018265
Product Name:	4-tert-Butylbenzenethiol
CAS:	2396-68-1
Synonyms:	4-tert-butylbenzenethiol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	4-tert-butylbenzenethiol
Description:	4-tert-Butylbenzenethiol (CAS# 2396-68-1) is a useful research chemical.
Molecular Weight:	166.28
Molecular Formula:	C10H14S
Canonical SMILES:	CC(C)(C)C1=CC=C(C=C1)S
InChI:	InChI=1S/C10H14S/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
InChI Key:	GNXBFFHXJDZGEK-UHFFFAOYSA-N
Boiling Point:	238 °C
Purity:	98 %
Density:	0.986 g/cm³
MDL:	MFCD00022067
LogP:	3.27280

Publication Number	Title	Priority Date
CN-113292479-A	Preparation method of 5-azaspiro [2.4] heptane and salt thereof	20210527
CN-113004324-A	Preparation method of sulfur-containing phosphonate	20210309
CN-112574079-A	2, 2-difluoro-N- (2-thioether cyclohexyl-1-alkene-1-base) acetamide and derivative and synthesis method thereof	20201214
CN-112574135-A	4-aryl-5-thioether-2-difluoromethyl oxazole, and derivatives and synthesis method thereof	20201214
CN-112321477-A	3, 5-dimethyl-4-sulfuryl-1H-pyrrole compound, preparation method and application	20201130

PMID	Publication Date	Title	Journal
22003822	20111123	Tetrapalladium complex with bridging germylene ligands. Structural change of the planar Pd4Ge3 core	Journal of the American Chemical Society
18020466	20071218	Reversible photoswitchable wettability in noncovalently assembled multilayered films	Langmuir : the ACS journal of surfaces and colloids
17196546	20070601	An approach towards artificial quinone pools by use of photo- and redox-active dendritic molecules	Biochimica et biophysica acta

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Related Functional Groups

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[6633-90-5]
1,4-Butanedithiol diacetate
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate

GHS Hazard Statement:	H302 (13.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	115
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.08162162
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.08162162
Rotatable Bond Count:	1
Topological Polar Surface Area:	1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8