4-[ (4-Chlorophenyl) methoxy]-1lambda6-thiomorpholine-1,1-dione

CAT: 0127-OR32567-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-OR32567-01Size:500 mg

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CAS Number

477889-69-3

MDL Number

MFCD02102601

Purity

Tech

Smiles

Clc1ccc(CON2CCS(=O)(=O)CC2)cc1

Chemical Information

4-[(4-Chlorobenzyl)oxy]-1lambda~6~,4-thiazinane-1,1-dione

CAS Number	477889-69-3
PubChem CID	1472358
IUPAC Name	4-[(4-chlorophenyl)methoxy]-1,4-thiazinane 1,1-dioxide
Molecular Formula	C11H14ClNO3S
Molecular Weight	275.75
XLogP	1.6
Topological Polar Surface Area	55
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	319

SMILES

C1CS(=O)(=O)CCN1OCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H14ClNO3S/c12-11-3-1-10(2-4-11)9-16-13-5-7-17(14,15)8-6-13/h1-4H,5-9H2

InChIKey

JNLCMZJZSFTRMU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 477889-69-3

CID: 1472358

Formula: C11H14ClNO3S

MW: 275.75

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	275.75
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	275.0382922
Monoisotopic Mass	275.0382922
Topological Polar Surface Area	55 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	319
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	1
Compound Is Canonicalized	Yes

Catalog	Name
OR32801-01	4- (Morpholin-4-yl) -1lambda6-thiomorpholine-1,1-dione
OR32803-01	4- (Piperidin-1-yl) -1lambda6-thiomorpholine-1,1-dione
PC28029-01	4-[ (2-Chloro-4-fluorophenyl) methoxy]-1lambda6-thiomorpholine-1,1-dione
OR1062794-01	4- (4-Chlorophenyl) thiomorpholine 1,1-dioxide
OR77648-01	2- (4-Aminophenyl) -1lambda6,2-thiazinane-1,1-dione
OR32652-01	1- (4-Chlorophenyl) pentane-1,4-dione
OR72062-01	3- (Bromomethyl) -1lambda6-thiolane-1,1-dione
PC111501-01	1- (4-chlorophenyl) -4,4-difluorobutane-1,3-dione
OR7779-01	1- (4-Chlorophenyl) propane-1,2-dione
OR1035730-01	4- (But-3-yn-1-yl) -1?6-thiomorpholine-1,1-dione

Catalog	Name
RAA04339-01	4-hydroxy-1lambda6-thiomorpholine-1,1-dione
HHC67772	4- (3-Aminopropyl) -1lambda6-thiomorpholine-1,1-dione hydrochloride
TRC-A613108-500MG	4-(4-Amino-3-methoxyphenyl)-1lambda6-thiomorpholine-1,1-dione Hydrochloride
NDA62029-01	1λ4-Thiomorpholine-1,3-dione
sc-486152	4- (4-Chlorophenyl) thiomorpholine 1,1-Dioxide
IKB79757-01	4- (3-Chloropropanoyl) -1-thiomorpholine-1,1-dione
EWB38408-01	4- (2-Chloropropanoyl) -1-thiomorpholine-1,1-dione
HUB64555-01	4- (2-Chloroacetyl) -1-thiomorpholine-1,1-dione
TRC-B404255-1G	4-(Aminomethyl)-4-hydroxy-1lambda6-thiane-1,1-dione Hydrochloride
CKA02707	4- (4-Bromophenyl) -2- (4-chlorophenyl) thiomorpholine-3,5-dione