4-Fluorophenyl isothiocyanate

CAT: 0024-sc-232730Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-232730Size:5 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1544-68-9

Chemical Information

4-Fluorophenyl isothiocyanate

CAS Number	1544-68-9
PubChem CID	15241
IUPAC Name	1-fluoro-4-isothiocyanatobenzene
Molecular Formula	C7H4FNS
Molecular Weight	153.18
XLogP	3.4
Topological Polar Surface Area	44.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	146

SMILES

C1=CC(=CC=C1N=C=S)F

InChI

InChI=1S/C7H4FNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

InChIKey

NFIUJHJMCQQYDL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1544-68-9

CID: 15241

Formula: C7H4FNS

MW: 153.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.18
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	153.00484847
Monoisotopic Mass	153.00484847
Topological Polar Surface Area	44.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	146
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-322978	4-Bromo-3-fluorophenyl isothiocyanate
sc-322978A	4-Bromo-3-fluorophenyl isothiocyanate
sc-323027	4-Chloro-2-fluorophenyl isothiocyanate
sc-323027A	4-Chloro-2-fluorophenyl isothiocyanate
sc-230349	2-Fluorophenyl isothiocyanate
sc-231723	3-Fluorophenyl isothiocyanate
sc-322664	3,4-Dibromo-6-fluorophenyl isothiocyanate
sc-506987	2,4-Dibromo-6-fluorophenyl isothiocyanate
sc-272324	(S) - (+) -1- (4-Fluorophenyl) ethyl isothiocyanate
sc-272144	(R) - (-) -1- (4-Fluorophenyl) ethyl isothiocyanate

Catalog	Name
278006-01	4-Fluorophenyl isothiocyanate
F04190-01	4-Fluorophenyl isothiocyanate 97%
PC1886M-01	3-Chloro-4-fluorophenyl isothiocyanate
233181-01	4-Fluorophenyl isothiocyanate ≥98.5%
PC9026-01	2-Bromo-4-fluorophenyl isothiocyanate
F1680-01	3-FLUOROPHENYL ISOTHIOCYANATE
PC32287-01	2-Fluorophenyl isothiocyanate
PC8745-01	2,4-Dibromo-6-fluorophenyl isothiocyanate
F04180-01	3-Fluorophenyl Isothiocyanate 7%
PC32286-01	2-Bromo-5-fluorophenyl isothiocyanate