(2,5-Dichlorophenyl) (thiomorpholino) methanone

CAT: 0127-OR1095978-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1095978-01Size:500 mg

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CAS Number

1626053-48-2

MDL Number

MFCD34756626

Purity

97%

Smiles

C1c (ccc (c1C (=O) N1CCSCC1) Cl) Cl

Chemical Information

(2,5-Dichlorophenyl)(thiomorpholino)methanone

CAS Number	1626053-48-2
PubChem CID	86996408
IUPAC Name	(2,5-dichlorophenyl)-thiomorpholin-4-ylmethanone
Molecular Formula	C11H11Cl2NOS
Molecular Weight	276.2
XLogP	3.2
Topological Polar Surface Area	45.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	258

SMILES

C1CSCCN1C(=O)C2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C11H11Cl2NOS/c12-8-1-2-10(13)9(7-8)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2

InChIKey

KDIOTOUASCXTKD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1626053-48-2

CID: 86996408

Formula: C11H11Cl2NOS

MW: 276.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.2
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	274.9938405
Monoisotopic Mass	274.9938405
Topological Polar Surface Area	45.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	258
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
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PC1009706-01	(2-Fluoro-5-methylphenyl) (thiomorpholino) methanone
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OR1096891-01	(5-Bromopyridin-2-yl) (thiomorpholino) methanone
OR1088225	(5-Chloropyridin-2-yl) (thiomorpholino) methanone
OR1100722	(3,5-Dimethoxyphenyl) (thiomorpholino) methanone

Catalog	Name
YKB79030-01	Cyclopropyl (3,5-dichlorophenyl) methanone
Fr21255-01	(3-fluoro-4-methylphenyl) (thiomorpholino) methanone
YNC04405-01	Cyclopropyl (2,6-dichlorophenyl) methanone
JH196879	(3,5-dichlorophenyl) - (4-fluorophenyl) methanone
IBA14657-01	(4-Chlorophenyl) (2,4-dichlorophenyl) methanone
LFA90633-01	Cyclopropyl (3,4-dichlorophenyl) methanone
MDA89443-01	(2,6-Dichlorophenyl) - (3-methylindol-1-yl) methanone
IGA93984-01	[5- (4-Chlorophenyl) -1- (2,4-dichlorophenyl) -1H-pyrazol-3-yl] (morpholino) methanone
EAA03813-01	(2,5-Dimethoxyphenyl) (phenyl) methanone
sc-288460	(2,5-dimethylphenyl) (phenyl) methanone