2-[4-(Methylthio)phenyl]ethylamine - CAS 118468-21-6

Catalog:	BB004113
Product Name:	2-[4-(Methylthio)phenyl]ethylamine
CAS:	118468-21-6
Synonyms:	2-[4-(methylthio)phenyl]ethanamine; 2-(4-methylsulfanylphenyl)ethanamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(4-methylsulfanylphenyl)ethanamine
Description:	2-[4-(Methylthio)phenyl]ethylamine (CAS# 118468-21-6) is a useful research chemical.
Molecular Weight:	167.27
Molecular Formula:	C9H13NS
Canonical SMILES:	CSC1=CC=C(C=C1)CCN
InChI:	InChI=1S/C9H13NS/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3
InChI Key:	UMURWDSHMNEMOR-UHFFFAOYSA-N
LogP:	2.61000

Publication Number	Title	Priority Date
EP-3747870-A1	Pyridazinol compound, derivative thereof, preparation method therefor, herbicidal composition and use thereof	20180202
EP-3483149-A1	Benzo[d]thiazole derivative or salt thereof, and pharmaceutical composition including same	20160708
JP-2019520403-A	Benzo [D] thiazole derivative or salt thereof, and pharmaceutical composition containing the same	20160708
KR-20180006167-A	Benzo[d]thiazole derivative or its salt and pharmaceutical composition comprising the same	20160708
US-10383859-B2	Benzo[d]thiazole derivative or salt thereof, and pharmaceutical composition including same	20160708

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Related Functional Groups

Amines and Anilines

[556-90-1]
Pseudothiohydantoin
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1550-50-1]
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	97.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.07687059
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	167.07687059
Rotatable Bond Count:	3
Topological Polar Surface Area:	51.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8