4- (4-Fluorophenylthio) aniline

CAT: 0127-PC9366-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-PC9366-01Size:500 mg

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CAS Number

24900-69-4

Synonyms

4-Amino-4'-fluorodiphenyl thioether

MDL Number

MFCD00172068

Purity

95%

Smiles

Nc1ccc(Sc2ccc(F)cc2)cc1

Storage Conditions

Store at 2-8°C

Chemical Information

4-[(4-Fluorophenyl)sulfanyl]aniline

CAS Number	24900-69-4
PubChem CID	2774740
IUPAC Name	4-(4-fluorophenyl)sulfanylaniline
Molecular Formula	C12H10FNS
Molecular Weight	219.28
XLogP	3
Topological Polar Surface Area	51.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	184

SMILES

C1=CC(=CC=C1N)SC2=CC=C(C=C2)F

InChI

InChI=1S/C12H10FNS/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2

InChIKey

LNYUNEQJZJOMBA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24900-69-4

CID: 2774740

Formula: C12H10FNS

MW: 219.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	219.28
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	219.05179866
Monoisotopic Mass	219.05179866
Topological Polar Surface Area	51.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	184
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
PC109279	4- (4-Fluorophenylthio) acetophenone
PC109280	4- (4-Fluorophenylthio) acetophenone
PC109415-01	(4-Fluorophenylthio) acetyl chloride
PC4175G	2- (4-Fluorophenylthio) acetonitrile
PC4175D-01	2- (4-Fluorophenylthio) acetic acid
PC4175H	(4-Fluorophenylthio) propan-2-one
PC9991	3- (4-Fluorophenylthio) propanoic acid
PC2189	3- (4-Fluorophenylthio) butyric acid
PC10577	2- (4-Fluorophenylthio) -5-nitrobenzaldehyde
OR1098171-01	4- (4-ethylphenoxy) aniline

Catalog	Name
sc-336411	4-cyano-3-trifluoromethyl-N-[3- (4-Fluorophenylthio) -2-hydroxyl-2-methylpropionyl]aniline
KKB52489-01	4- (4-Bromophenoxymethyl) aniline
JLA46284-01	4- (4-Methanesulfonylphenoxy) aniline
429227-01	4- (4-Methylpiperazino) aniline
277951-01	4- (4-Fluorophenoxy) aniline
sc-314579	4- (4-Ethylphenoxy) aniline
sc-284042	4- (4-Nitrophenoxy) aniline
sc-314494	4- (4-Benzylpiperazino) aniline
TRC-M325445-1G	4-(4-Methylpiperazino)aniline
BCA69067-01	4- (4-Ethoxyphenoxy) aniline