Pentafluorophenyl isothiocyanate

CAT: 0024-sc-264002ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-264002ASize:5 g

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CAS Number

35923-79-6

Chemical Information

Pentafluorophenylisothiocyanate

coupling agent used in Edman degradation

CAS Number	35923-79-6
PubChem CID	123452
IUPAC Name	1,2,3,4,5-pentafluoro-6-isothiocyanatobenzene
Molecular Formula	C7F5NS
Molecular Weight	225.14
XLogP	3.8
Topological Polar Surface Area	44.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	240

SMILES

C(=NC1=C(C(=C(C(=C1F)F)F)F)F)=S

InChI

InChI=1S/C7F5NS/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10

InChIKey

NGNKMRBGZPDABE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35923-79-6

CID: 123452

Formula: C7F5NS

MW: 225.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	225.14
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	224.96716099
Monoisotopic Mass	224.96716099
Topological Polar Surface Area	44.5 Å²
Heavy Atom Count	14
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-279953	(Pentafluorophenyl) diphenylphosphine
sc-253248	Pentafluorophenyl trifluoroacetate
sc-215689A	Pentafluorophenyl acetate
sc-228912	Pentafluorophenyl isocyanate
sc-253249	(Pentafluorophenyl) triethoxysilane
sc-228910	Pentafluorophenyl chlorothionoformate
sc-264001	Pentafluorophenyl acrylate
sc-257983	Pentafluorophenyl methacrylate
sc-301525	Pentafluorophenyl sulfide
sc-215689	Pentafluorophenyl acetate

Catalog	Name
PC5692-01	Pentafluorophenyl isothiocyanate
XYA55360	Pentafluorophenyl ethanesulphonate
286563-01	Pentafluorophenyl Isocyanate
288446-01	Pentafluorophenyl Trifluoromethanesulfonate
PC4318-01	Pentafluorophenyl methacrylate
PC908067-01	Pentafluorophenyl diphenylphosphinate
PC5808	Pentafluorophenyl isonicotinate
PC10572	Pentafluorophenyl methanesulphonate
PC7353-01	Pentafluorophenyl trifluoromethanesulphonate
FP01931-01	Pentafluorophenyl trifluoroacetate