2-fluoro-4-thiocyanatoaniline - CAS 14512-85-7

Catalog:	BB009892
Product Name:	2-fluoro-4-thiocyanatoaniline
CAS:	14512-85-7
Synonyms:	thiocyanic acid (4-amino-3-fluorophenyl) ester; (4-amino-3-fluorophenyl) thiocyanate

Technical Data

Patents

Computed Properties

IUPAC Name:	(4-amino-3-fluorophenyl) thiocyanate
Description:	2-fluoro-4-thiocyanatoaniline (CAS# 14512-85-7) is a useful research chemical.
Molecular Weight:	168.19
Molecular Formula:	C7H5FN2S
Canonical SMILES:	C1=CC(=C(C=C1SC#N)F)N
InChI:	InChI=1S/C7H5FN2S/c8-6-3-5(11-4-9)1-2-7(6)10/h1-3H,10H2
InChI Key:	RPLHGFNIWGHYMX-UHFFFAOYSA-N
Boiling Point:	285.2 °C at 760 mmHg
Density:	1.37 g/cm³
LogP:	2.56228

Publication Number	Title	Priority Date
CN-111454185-A	Method for inducing thiocyanide of arylamine compound by visible light	20200223
CN-111454185-B	Method for inducing thiocyanide of arylamine compound by visible light	20200223
AU-2009344690-A1	Heterocyclic compounds as MEK inhibitors	20090421
CA-2761108-A1	Heterocyclic compounds as mek inhibitors	20090421
EP-2421612-A1	Heterocyclic compounds as mek inhibitors	20090421

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Complexity:	177
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.0157475
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.0157475
Rotatable Bond Count:	1
Topological Polar Surface Area:	75.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2