3-[ (4-Fluorophenyl) sulfanyl]propanamide

CAT: 0926-YTB35419-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-YTB35419-01Size:250 mg

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CAS Number

1098354-19-8

MDL Number

MFCD11643161

Smiles

C1=CC (=CC=C1F) SCCC (=O) N

Molecular Formula

C9H10FNOS

Molecular Weight

199.25 g/mol

Controlled

Chemical Information

3-[(4-Fluorophenyl)sulfanyl]propanamide

CAS Number	1098354-19-8
PubChem CID	43236326
IUPAC Name	3-(4-fluorophenyl)sulfanylpropanamide
Molecular Formula	C9H10FNOS
Molecular Weight	199.25
XLogP	1.4
Topological Polar Surface Area	68.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	169

SMILES

C1=CC(=CC=C1F)SCCC(=O)N

InChI

InChI=1S/C9H10FNOS/c10-7-1-3-8(4-2-7)13-6-5-9(11)12/h1-4H,5-6H2,(H2,11,12)

InChIKey

YUXHRHJTMUPKJI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1098354-19-8

CID: 43236326

Formula: C9H10FNOS

MW: 199.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	199.25
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	199.04671328
Monoisotopic Mass	199.04671328
Topological Polar Surface Area	68.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	169
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
XTB78962-01	3-[ (2-Fluorophenyl) sulfanyl]propanamide
ABA46867-01	3- (4-Fluorophenyl) propanamide
AKB85884-01	3-[ (4-Fluorophenyl) amino]propanamide
BJB16959-01	3-[ (4-Fluorophenyl) sulfanyl]propanehydrazide
LIC70599-01	2-Bromo-3- (4-fluorophenyl) propanamide
FC58936	3-Chloro-N- (4-fluorophenyl) propanamide
HWB00092-01	3-[ (3-Amino-4-fluorophenyl) formamido]propanamide
YDA89802-01	3-[ (2-Aminophenyl) sulfanyl]propanamide
FF82214	4-[ (4-Fluorophenyl) Sulfanyl]Aniline
NRB29366-01	3-Amino-2-[ (4-fluorophenyl) methyl]propanamide

Catalog	Name
PC1002922-01	3- (4-Fluorophenyl) propanamide
sc-299346	4-[ (4-Fluorophenyl) sulfanyl]aniline
sc-344795A	3-[ (4-fluorophenyl) sulfanyl]propanenitrile
sc-315260A	4-[ (4-Fluorophenyl) sulfanyl]-3-nitrobenzene carbaldehyde
PC101231-01	2-Chloro-N- (4-fluorophenyl) propanamide
PC107033	2-Bromo-N- (4-fluorophenyl) propanamide
KY UC 3773-01	N- (3-chloro-4-fluorophenyl) propanamide
422766-01	3- (4-Bromo-2-fluorophenyl) propanamide
RG-A263737-01	3-amino-3- (4-fluorophenyl) propanamide
sc-345803A	3-[ (chloroacetyl) (4-fluorophenyl) amino]propanamide