MLS000544460

CAT: 0607-BA8130-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8130-10Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

352336-36-8

Form

A solid

Molecular Formula

C17H12FN3O2S

Molecular Weight

341.36

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

3-fluoro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide

CAS Number	352336-36-8
PubChem CID	7285259
IUPAC Name	3-fluoro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
Molecular Formula	C17H12FN3O2S
Molecular Weight	341.4
XLogP	4
Topological Polar Surface Area	92.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	452

SMILES

C1=CC=NC(=C1)SC2=CC=C(O2)/C=N/NC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C17H12FN3O2S/c18-13-5-3-4-12(10-13)17(22)21-20-11-14-7-8-16(23-14)24-15-6-1-2-9-19-15/h1-11H,(H,21,22)/b20-11+

InChIKey

VDKNIVFIPSLUFD-RGVLZGJSSA-N

Chemical Structure

2D Structure

CAS: 352336-36-8

CID: 7285259

Formula: C17H12FN3O2S

MW: 341.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	341.4
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	341.06342597
Monoisotopic Mass	341.06342597
Topological Polar Surface Area	92.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	452
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T12080-01	MLS000544460