2-(Butylamino)ethanethiol - CAS 5842-00-2

Catalog:	BB030034
Product Name:	2-(Butylamino)ethanethiol
CAS:	5842-00-2
Synonyms:	2-(butylamino)ethanethiol

Technical Data

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Computed Properties

IUPAC Name:	2-(butylamino)ethanethiol
Description:	2-(Butylamino)ethanethiol (CAS# 5842-00-2) is a useful research chemical.
Molecular Weight:	133.26
Molecular Formula:	C6H15NS
Canonical SMILES:	CCCCNCCS
InChI:	InChI=1S/C6H15NS/c1-2-3-4-7-5-6-8/h7-8H,2-6H2,1H3
InChI Key:	OUMFAUYLXGTBCX-UHFFFAOYSA-N
Boiling Point:	242.7 °C at 760 mmHg
Density:	0.901 g/cm³
Appearance:	Colorless liquid
LogP:	1.69680

Publication Number	Title	Priority Date
CN-113046060-A	Quantum dot composite material, preparation method thereof and quantum dot light-emitting diode	20191227
WO-2020188839-A1	Novel polystyrene-based polyampholyte having upper critical solution temperature, and application for same	20190320
WO-2020163872-A1	Antioxidant-releasing vitreous substitutes and uses thereof	20190208
CN-111518509-A	Solvent-free reactive adhesive composition and method for producing tire using same	20190201
EP-3689636-A1	Reactive solvent-free adhesive composition and method of manufacturing tire using same	20190201

PMID	Publication Date	Title	Journal
19682922	20091101	Ionization mechanism of the ambient pressure pyroelectric ion source (APPIS) and its applications to chemical nerve agent detection	Journal of the American Society for Mass Spectrometry
15363518	20040910	Photocatalytic oxidation of VX simulant 2-(butylamino)ethanethiol	Journal of hazardous materials
14615983	20031115	Secondary ionization of chemical warfare agent simulants: atmospheric pressure ion mobility time-of-flight mass spectrometry	Analytical chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	39.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	133.09252066
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	133.09252066
Rotatable Bond Count:	5
Topological Polar Surface Area:	13 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3