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Thiomorpholine-4-carbonyl Chloride 1,1-Dioxide

Thiomorpholine-4-carbonyl Chloride 1,1-Dioxide - CAS 39093-77-1

Catalog:	BB023835
Product Name:	Thiomorpholine-4-carbonyl Chloride 1,1-Dioxide
CAS:	39093-77-1
Synonyms:	1,1-dioxo-1,4-thiazinane-4-carbonyl chloride; 1,1-dioxo-1,4-thiazinane-4-carbonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1,1-dioxo-1,4-thiazinane-4-carbonyl chloride
Description:	Thiomorpholine-4-carbonyl Chloride 1,1-Dioxide (CAS# 39093-77-1) is a useful research chemical.
Molecular Weight:	197.64
Molecular Formula:	C5H8ClNO3S
Canonical SMILES:	C1CS(=O)(=O)CCN1C(=O)Cl
InChI:	InChI=1S/C5H8ClNO3S/c6-5(8)7-1-3-11(9,10)4-2-7/h1-4H2
InChI Key:	IGTZDYSBSFTPPP-UHFFFAOYSA-N
LogP:	1.09430

Publication Number	Title	Priority Date
US-10703733-B2	MCL-1 inhibitors	20180514
US-2019352271-A1	Mcl-1 inhibitors	20180514
US-2020331870-A1	Mcl-1 inhibitors	20180514
EP-3793565-A1	Mcl-1 inhibitors	20180514
US-10988451-B2	MCL-1 inhibitors	20180514

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.9913420
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.9913420
Rotatable Bond Count:	0
Topological Polar Surface Area:	62.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1