4-Chlorobenzenemethanethiol - CAS 6258-66-8

Catalog:	BB031673
Product Name:	4-Chlorobenzenemethanethiol
CAS:	6258-66-8
Synonyms:	(4-chlorophenyl)methanethiol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	(4-chlorophenyl)methanethiol
Description:	4-Chlorobenzenemethanethiol (CAS# 6258-66-8) is a useful research chemical.
Molecular Weight:	158.65
Molecular Formula:	C7H7ClS
Canonical SMILES:	C1=CC(=CC=C1CS)Cl
InChI:	InChI=1S/C7H7ClS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChI Key:	GKQXPTHQTXCXEV-UHFFFAOYSA-N
Boiling Point:	125 °C / 35 mmHg
Melting Point:	19-20 °C (lit.)
Purity:	98 %
Density:	1.2 g/cm³
Appearance:	Clear colorless to light yellow liquid
MDL:	MFCD00004870
LogP:	2.76980

Publication Number	Title	Priority Date
CN-113292462-A	Substituted allene thioether compound and preparation method thereof	20210226
JP-2021134343-A	A reactive mixture containing a plurality of reactive components and a polymer having an aryl ether ketone structure obtained from this mixture.	20200227
WO-2021166952-A1	Method for producing polythioether compound	20200219
CN-110579828-A	metal dot color filter, manufacturing method thereof and liquid crystal display device	20190808
CN-112289937-A	Quantum dot light-emitting diode and preparation method thereof	20190725

PMID	Publication Date	Title	Journal
20688518	20100901	S-benzylisothiourea derivatives as small-molecule inhibitors of indoleamine-2,3-dioxygenase	Bioorganic & medicinal chemistry letters
19783991	20091101	Chemical genomics in Escherichia coli identifies an inhibitor of bacterial lipoprotein targeting	Nature chemical biology

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Related Functional Groups

Sulfur Compounds

[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[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, P311, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	77
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.9956991
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.9956991
Rotatable Bond Count:	1
Topological Polar Surface Area:	1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9