Pentafluorophenyl Chlorothionoformate

CAT: 0572-TRC-P273560-500MGSize: 500 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-P273560-500MGSize:500 mg

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CAS Number

135192-53-9

Hazard Statement

No Data Available

Smiles

Fc1c(F)c(F)c(OC(=S)Cl)c(F)c1F

Molecular Formula

C7ClF5OS

Molecular Weight

262.59

Shipping Conditions

Room Temperature

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
TRC-P319650-5G	Phenyl Chlorothionoformate
TRC-P319650-10G	Phenyl Chlorothionoformate
TRC-P319650-1G	Phenyl Chlorothionoformate
D491843	Diphenyl(pentafluorophenyl)phosphine
TRC-B591913-100MG	bis(Pentafluorophenyl)phenylphosphine
TRC-B591913-500MG	bis(Pentafluorophenyl)phenylphosphine
TRC-B591913-50MG	bis(Pentafluorophenyl)phenylphosphine
TRC-T800805-2.5G	Tris(Pentafluorophenyl)borane Hydrate
TRC-T800805-1G	Tris(Pentafluorophenyl)borane Hydrate
TRC-T886375-750MG	Tris(pentafluorophenyl)-1,3,5-triazine

Catalog	Name
sc-228910	Pentafluorophenyl chlorothionoformate
MBS6057225-01	Phenyl Chlorothionoformate
sc-485338	4-Fluorophenyl chlorothionoformate
290780-01	P-Tolyl chlorothionoformate
sc-280429	4-Chlorophenyl chlorothionoformate
sc-250592	O-Phenyl chlorothionoformate
sc-255398	O- (p-Tolyl) chlorothionoformate
1986D 00005	O-Phenyl Chlorothionoformate 98%
XYA55360	Pentafluorophenyl ethanesulphonate
286563-01	Pentafluorophenyl Isocyanate