4-Bromophenylthioacetate - CAS 28122-76-1

Catalog:	BB019770
Product Name:	4-Bromophenylthioacetate
CAS:	28122-76-1
Synonyms:	S-(4-bromophenyl) ethanethioate

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Computed Properties

IUPAC Name:	S-(4-bromophenyl) ethanethioate
Description:	4-Bromophenylthioacetate (CAS# 28122-76-1 ) is a useful research chemical.
Molecular Weight:	231.11
Molecular Formula:	C8H7BrOS
Canonical SMILES:	CC(=O)SC1=CC=C(C=C1)Br
InChI:	InChI=1S/C8H7BrOS/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3
InChI Key:	ZILDXZXTWVSRDE-UHFFFAOYSA-N
Boiling Point:	96 °C / 1 mmHg (lit.)
Density:	1.57 g/cm³
MDL:	MFCD00223102
LogP:	3.08770

Publication Number	Title	Priority Date
CN-109796383-B	1-thiophenyl-N-acetyl-2-naphthylamine and its derivative and synthesis method	20190119
US-10453584-B2	Hydrophobic, conductive organic materials for metallic surfaces	20161027
US-2018122531-A1	Hydrophobic, conductive organic materials for metallic surfaces	20161027
US-2020005959-A1	Hydrophobic, conductive organic materials for metallic surfaces	20161027
EP-2110398-A1	Method for producing structure wherein aromatic polymer is bonded to base, structure having aromatic polymer chain bonded to conductive base, and electronic device comprising the structure	20070201

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Related Functional Groups

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[15863-41-9]
4-(Methylthio)phenyl isothiocyanate

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GHS Hazard Statement:	H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501
Signal Word:	Warning

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.94010
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	229.94010
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9