2-(4-Morpholino)ethyl isothiocyanate - CAS 63224-35-1

Catalog:	BB032059
Product Name:	2-(4-Morpholino)ethyl isothiocyanate
CAS:	63224-35-1
Synonyms:	4-(2-isothiocyanatoethyl)morpholine

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Computed Properties

IUPAC Name:	4-(2-isothiocyanatoethyl)morpholine
Description:	2-(4-Morpholino)ethyl isothiocyanate (CAS# 63224-35-1) is a useful research chemical.
Molecular Weight:	160.24
Molecular Formula:	C6H12N2OS
Canonical SMILES:	C1COCCN1CCN=C=S
InChI:	InChI=1S/C7H12N2OS/c11-7-8-1-2-9-3-5-10-6-4-9/h1-6H2
InChI Key:	SDNSCXCXVQHBGH-UHFFFAOYSA-N
Boiling Point:	163 °C / 10 mmHg (lit.)
Density:	1.129 g/mL at 25 °C (lit.)
Appearance:	Yellow liquid
MDL:	MFCD00041221
LogP:	0.35930

Publication Number	Title	Priority Date
CA-3066859-A1	Substituted pyrrolopyridine-derivatives	20170613
EP-3638669-A1	Substituted pyrrolopyridine-derivatives	20170613
WO-2018228920-A1	Substituted pyrrolopyridine-derivatives	20170613
AU-2017382953-A1	Tetraazabicyclo-macrocycle based manganese chelate compounds suitable as MRI imaging agents	20161221
AU-2017382953-A2	Tetraazabicyclo-macrocycle based manganese chelate compounds suitable as MRI imaging agents	20161221

PMID	Publication Date	Title	Journal
22474512	20120101	Chloroform Fraction of Centratherum anthelminticum (L.) Seed Inhibits Tumor Necrosis Factor Alpha and Exhibits Pleotropic Bioactivities: Inhibitory Role in Human Tumor Cells	Evidence-based complementary and alternative medicine : eCAM

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Related Functional Groups

Morpholines/Thiomorpholines

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[342611-02-3]
Morpholine-2,2,3,3,5,5,6,6-D8
[1097623-88-5]
(2β,3α,5α,16β)-3-Hydroxy-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-17-one
[1267956-65-9]
(1-(Morpholinomethyl)cyclopropyl)methanol
[1185560-03-5]
2-Methyl-N-(2-morpholin-4-ylethyl)propan-1-amine oxalic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P285, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P342+P311, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.06703418
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.06703418
Rotatable Bond Count:	3
Topological Polar Surface Area:	56.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3