Morpholine-4-sulfonyl Chloride - CAS 1828-66-6

Catalog:	BB014020
Product Name:	Morpholine-4-sulfonyl Chloride
CAS:	1828-66-6
Synonyms:	4-morpholinesulfonyl chloride; morpholine-4-sulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	morpholine-4-sulfonyl chloride
Description:	Morpholine-4-sulfonyl Chloride (CAS# 1828-66-6) is a useful research chemical.
Molecular Weight:	185.63
Molecular Formula:	C4H8ClNO3S
Canonical SMILES:	C1COCCN1S(=O)(=O)Cl
InChI:	InChI=1S/C4H8ClNO3S/c5-10(7,8)6-1-3-9-4-2-6/h1-4H2
InChI Key:	KXIBCCFSAMRWIC-UHFFFAOYSA-N
Boiling Point:	299.7 °C at 760 mmHg
Density:	1.53 g/cm³
MDL:	MFCD03249981
LogP:	0.82090

Publication Number	Title	Priority Date
CN-111763201-A	Benzothiazole compound and medical application thereof	20200303
CN-112812111-A	Benzothiazole compound and medical application thereof	20200303
WO-2021175234-A1	Benzothiazole compound and medical use	20200303
CN-112409223-A	Amide compounds and medical application thereof as STING inhibitor	20191012
WO-2021068950-A1	Amide compound and medical use thereof as sting inhibitor	20191012

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GHS Hazard Statement:	H315 (97.44%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.9913420
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.9913420
Rotatable Bond Count:	1
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1