4-(Methylthio)benzyl bromide - CAS 38185-19-2

Catalog:	BB023561
Product Name:	4-(Methylthio)benzyl bromide
CAS:	38185-19-2
Synonyms:	1-(bromomethyl)-4-methylsulfanylbenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(bromomethyl)-4-methylsulfanylbenzene
Description:	4-(Methylthio)benzyl bromide (CAS# 38185-19-2 ) is a useful research chemical.
Molecular Weight:	217.13
Molecular Formula:	C8H9BrS
Canonical SMILES:	CSC1=CC=C(C=C1)CBr
InChI:	InChI=1S/C8H9BrS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
InChI Key:	QDLKMRTVELBKFE-UHFFFAOYSA-N
Boiling Point:	274.5 °C at 760 mmHg
Density:	1.44 g/cm³
Appearance:	White powder
MDL:	MFCD05865196
LogP:	3.30340

Publication Number	Title	Priority Date
KR-102274077-B1	Pyrrolidine derivatives as inhibitor of fibroblast activation protein (fap) and pharmaceutical composition including the same	20190329
KR-20200115934-A	Pyrrolidine derivatives as inhibitor of fibroblast activation protein (fap) and pharmaceutical composition including the same	20190329
WO-2020051575-A1	Boron containing compounds and their uses	20180907
AU-2018240527-A1	CDC-7-inhibitor compounds and use thereof for the treatment of neurological conditions	20170322
EP-3604310-A1	Cdc-7-inhibitor compounds and use thereof for the treatment of neurological conditions	20170322

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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
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[52147-97-4]
trans-β-Styrenesulfonyl chloride

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P272, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P405, and P501
Signal Word:	Danger

Complexity:	87.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.96083
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	215.96083
Rotatable Bond Count:	2
Topological Polar Surface Area:	25.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3