4-Fluorophenyl chlorothionoformate

CAT: 0127-PC906433-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC906433-01Size:1 g

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CAS Number

42908-73-6

MDL Number

MFCD00134402

Purity

98%

Smiles

Fc1ccc(OC(=S)Cl)cc1

Chemical Information

4-Fluorophenyl Chlorothionoformate

CAS Number	42908-73-6
PubChem CID	5045332
IUPAC Name	O-(4-fluorophenyl) chloromethanethioate
Molecular Formula	C7H4ClFOS
Molecular Weight	190.62
XLogP	3.4
Topological Polar Surface Area	41.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	145

SMILES

C1=CC(=CC=C1OC(=S)Cl)F

InChI

InChI=1S/C7H4ClFOS/c8-7(11)10-6-3-1-5(9)2-4-6/h1-4H

InChIKey

HZBXSUFBKXPOAF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 42908-73-6

CID: 5045332

Formula: C7H4ClFOS

MW: 190.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.62
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	189.9655418
Monoisotopic Mass	189.9655418
Topological Polar Surface Area	41.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	145
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
PC109136-01	Pentafluorophenyl Chlorothionoformate
PC1001074	4- (4-Fluorophenyl) -3-fluorophenol
PC902385-01	4- (4-Fluorophenyl) benzonitrile
PC100912-01	4- (4-Fluorophenyl) oxazole
PC1762	4-Fluorophenyl 4-iodobenzoate
PC1002755-01	4- (4-Fluorophenyl) quinoline
PC4519-01	4- (4-Fluorophenyl) thiosemicarbazide
PC103777	(2-Fluorophenyl) (4-fluorophenyl) (phenyl) methanol
PC1001363-01	(4-Fluorophenyl) trimethylsilane
PC0910	4-Fluorophenyl acetate

Catalog	Name
sc-485338	4-Fluorophenyl chlorothionoformate
sc-280429	4-Chlorophenyl chlorothionoformate
TRC-P319650-5G	Phenyl Chlorothionoformate
sc-228910	Pentafluorophenyl chlorothionoformate
290780-01	P-Tolyl chlorothionoformate
sc-250592	O-Phenyl chlorothionoformate
sc-255398	O- (p-Tolyl) chlorothionoformate
1986D 00005	O-Phenyl Chlorothionoformate 98%
425790-01	(3-Fluorophenyl) (4-fluorophenyl) methanone
CAA06956-01	4-Fluorophenyl 4-fluorobenzoate