(2-Fluorophenyl) (thiomorpholino) methanone

CAT: 0127-PC1023294-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1023294-01Size:250 mg

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CAS Number

1183823-38-2

MDL Number

MFCD12762606

Purity

97%

Smiles

C1 (ccccc1F) C (=O) N1CCSCC1

Chemical Information

(2-Fluorophenyl)(thiomorpholino)methanone

CAS Number	1183823-38-2
PubChem CID	47044012
IUPAC Name	(2-fluorophenyl)-thiomorpholin-4-ylmethanone
Molecular Formula	C11H12FNOS
Molecular Weight	225.28
XLogP	1.9
Topological Polar Surface Area	45.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	231

SMILES

C1CSCCN1C(=O)C2=CC=CC=C2F

InChI

InChI=1S/C11H12FNOS/c12-10-4-2-1-3-9(10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2

InChIKey

WPFVQRLZXDRTDO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1183823-38-2

CID: 47044012

Formula: C11H12FNOS

MW: 225.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	225.28
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	225.06236334
Monoisotopic Mass	225.06236334
Topological Polar Surface Area	45.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	231
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

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