(3-fluorophenyl) (phenyl) sulfane

CAT: 0127-PC1021519-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1021519-01Size:250 mg

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CAS Number

40154-91-4

Purity

95%

Smiles

C1cccc (c1) Sc1cccc (c1) F

Chemical Information

(3-Fluorophenyl)(phenyl)sulfane

CAS Number	40154-91-4
PubChem CID	13639562
IUPAC Name	1-fluoro-3-phenylsulfanylbenzene
Molecular Formula	C12H9FS
Molecular Weight	204.26
XLogP	4.1
Topological Polar Surface Area	25.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	166

SMILES

C1=CC=C(C=C1)SC2=CC=CC(=C2)F

InChI

InChI=1S/C12H9FS/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H

InChIKey

CLJJPNVLXXDOJZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40154-91-4

CID: 13639562

Formula: C12H9FS

MW: 204.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.26
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	204.04089962
Monoisotopic Mass	204.04089962
Topological Polar Surface Area	25.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	166
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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OR1088786-01	(3- (tert-butyl) phenyl) (phenyl) sulfane
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Catalog	Name
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IBA93280-01	Methyl (4- (phenylthio) phenyl) sulfane
CTC82128-01	(4-Chloro-3-fluorophenyl) (phenyl) methanamine
RDC31854-01	(3-Chloro-2-fluorophenyl) (phenyl) methanamine