2-Morpholinoethanethiol - CAS 4542-46-5

Catalog:	BB025858
Product Name:	2-Morpholinoethanethiol
CAS:	4542-46-5
Synonyms:	2-(4-morpholinyl)ethanethiol; 2-morpholin-4-ylethanethiol

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Computed Properties

IUPAC Name:	2-morpholin-4-ylethanethiol
Description:	2-Morpholinoethanethiol (CAS# 4542-46-5 ) is a useful research chemical.
Molecular Weight:	147.24
Molecular Formula:	C6H13NOS
Canonical SMILES:	C1COCCN1CCS
InChI:	InChI=1S/C6H13NOS/c9-6-3-7-1-4-8-5-2-7/h9H,1-6H2
InChI Key:	YZVWMFBVTTUSAW-UHFFFAOYSA-N
Boiling Point:	223.389 °C at 760 mmHg
Density:	1.081 g/cm³
LogP:	0.18630

Publication Number	Title	Priority Date
EP-3686252-A1	Radiation curable inkjet ink for manufacturing printed circuit boards	20190124
WO-2020080979-A1	Pfkfb3 inhibitors and their uses	20181015
EP-3753939-A1	Substituted pyrazolo[1,5-a]pyridine compounds as ret kinase inhibitors	20161010
WO-2017192664-A1	Oligonucleotide compositions and methods thereof	20160504
WO-2017192679-A1	Methods and compositions of biologically active agents	20160504

PMID	Publication Date	Title	Journal
22145019	20110101	Localization of ASV integrase-DNA contacts by site-directed crosslinking and their structural analysis	PloS one

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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, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	73.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.07178521
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	147.07178521
Rotatable Bond Count:	2
Topological Polar Surface Area:	13.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2