(2,5-difluorophenyl) (methyl) sulfane

CAT: 0127-PC1026109-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1026109-01Size:250 mg

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CAS Number

54378-78-8

Purity

95%

Smiles

S (C) c1c (F) ccc (F) c1

Chemical Information

(2,5-Difluorophenyl)(methyl)sulfane

CAS Number	54378-78-8
PubChem CID	68349808
IUPAC Name	1,4-difluoro-2-methylsulfanylbenzene
Molecular Formula	C7H6F2S
Molecular Weight	160.19
XLogP	2.6
Topological Polar Surface Area	25.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	108

SMILES

CSC1=C(C=CC(=C1)F)F

InChI

InChI=1S/C7H6F2S/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3

InChIKey

YTCRYPBRWJUWCR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54378-78-8

CID: 68349808

Formula: C7H6F2S

MW: 160.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.19
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	160.01582769
Monoisotopic Mass	160.01582769
Topological Polar Surface Area	25.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	108
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
PC1013110-01	(2-Chloro-4,5-difluorophenyl) (methyl) sulfane
PC1014652-01	(5-Bromo-2,3-difluorophenyl) (methyl) sulfane
PC1013523-01	(2-Ethoxy-4,5-difluorophenyl) (methyl) sulfane
PC1013589-01	(5-Bromo-2,4-difluorophenyl) (methyl) sulfane
PC1011190-01	(2-bromo-4,5-difluorophenyl) (methyl) sulfane
PC1016095-01	(5-Ethoxy-2,4-difluorophenyl) (methyl) sulfane
PC1024075-01	(3,5-dibromo-2,6-difluorophenyl) (methyl) sulfane
PC1018757-01	(3,5-Dichloro-2,6-difluorophenyl) (methyl) sulfane
PC1013738-01	(2,5-difluorophenyl) (propyl) sulfane
PC1013804-01	Butyl (2,5-difluorophenyl) sulfane

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