Pentafluorophenyl chlorothionoformate

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CAS Number

135192-53-9

Chemical Information

Pentafluorophenyl Chlorothionoformate

CAS Number	135192-53-9
PubChem CID	5214725
IUPAC Name	O-(2,3,4,5,6-pentafluorophenyl) chloromethanethioate
Molecular Formula	C7ClF5OS
Molecular Weight	262.58
XLogP	3.8
Topological Polar Surface Area	41.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	240

SMILES

C1(=C(C(=C(C(=C1F)F)F)F)F)OC(=S)Cl

InChI

InChI=1S/C7ClF5OS/c8-7(15)14-6-4(12)2(10)1(9)3(11)5(6)13

InChIKey

DKFQHZNKNWNZCO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 135192-53-9

CID: 5214725

Formula: C7ClF5OS

MW: 262.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.58
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	261.9278543
Monoisotopic Mass	261.9278543
Topological Polar Surface Area	41.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	240
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
sc-485338	4-Fluorophenyl chlorothionoformate
sc-250592	O-Phenyl chlorothionoformate
sc-280429	4-Chlorophenyl chlorothionoformate
sc-255398	O- (p-Tolyl) chlorothionoformate
sc-279953	(Pentafluorophenyl) diphenylphosphine
sc-253248	Pentafluorophenyl trifluoroacetate
sc-215689A	Pentafluorophenyl acetate
sc-228912	Pentafluorophenyl isocyanate
sc-253249	(Pentafluorophenyl) triethoxysilane
sc-264002A	Pentafluorophenyl isothiocyanate

Catalog	Name
TRC-P273560-100MG	Pentafluorophenyl Chlorothionoformate
TRC-P319650-5G	Phenyl Chlorothionoformate
290780-01	P-Tolyl chlorothionoformate
PC906433-01	4-Fluorophenyl chlorothionoformate
1986D 00005	O-Phenyl Chlorothionoformate 98%
XYA55360	Pentafluorophenyl ethanesulphonate
286563-01	Pentafluorophenyl Isocyanate
288446-01	Pentafluorophenyl Trifluoromethanesulfonate
PC5692-01	Pentafluorophenyl isothiocyanate
PC4318-01	Pentafluorophenyl methacrylate