Thiomorpholine-1-oxide hydrochloride

CAT: 0127-OR94467-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR94467-01Size:100 mg

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CAS Number

76176-87-9

MDL Number

MFCD09026928

Purity

99%

Smiles

O=S1CCNCC1.[H]Cl

Chemical Information

1Lambda4-thiomorpholin-1-one hydrochloride

CAS Number	76176-87-9
PubChem CID	20441479
IUPAC Name	1,4-thiazinane 1-oxide;hydrochloride
Molecular Formula	C4H10ClNOS
Molecular Weight	155.65
Topological Polar Surface Area	48.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	75

SMILES

C1CS(=O)CCN1.Cl

InChI

InChI=1S/C4H9NOS.ClH/c6-7-3-1-5-2-4-7;/h5H,1-4H2;1H

InChIKey

CNAHTBMMJSMMEC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 76176-87-9

CID: 20441479

Formula: C4H10ClNOS

MW: 155.65

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	155.65
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	155.0171628
Monoisotopic Mass	155.0171628
Topological Polar Surface Area	48.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	75.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
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OR1061757-01	4- (2-Aminoethyl) thiomorpholine 1-oxide dihydrochloride
OR1068217-01	Tert-Butyl thiomorpholine-4-carboxylate 1-oxide
OR12774	2-phenyl thiomorpholine hydrochloride
OR1102662-01	Benzyl 1-imino-1l6-thiomorpholine-4-carboxylate 1-oxide
OR12779	2- (2-chlorophenyl) thiomorpholine hydrochloride
OR79989-01	Thiomorpholine-3-carboxylic acid hydrochloride
OR12776	2- (4-Methoxyphenyl) thiomorpholine hydrochloride
OR78505-01	4- (2-Chloroethyl) thiomorpholine hydrochloride
OR59472-01	Ethyl thiomorpholine-3-carboxylate hydrochloride

Catalog	Name
BDA17687-01	Thiomorpholine-1-oxide hydrochloride
DXC58751-01	2, 2-Diethyl-thiomorpholine 1-oxide hydrochloride
DXC58648-01	4- (2-Propyn-1-yl) -thiomorpholine 1-oxide hydrochloride
sc-237096	Thiomorpholine hydrochloride
abx182685-01	Thiomorpholine 1,1-dioxide hydrochloride
89990083	Thiomorpholine-1,1-dioxide hydrochloride
DXC59979-01	3-Methyl-thiomorpholine 1, 1-dioxide hydrochloride
XWC55425-01	2-Methyl-thiomorpholine 1, 1-dioxide hydrochloride
242329-01	Thiomorpholine 1,1-dioxide hydrochloride 98+% (HPLC)
LEC21899-01	3-Cyclopropyl-thiomorpholine 1, 1-dioxide hydrochloride