3-[ (2-Fluorophenyl) sulfanyl]propanamide

CAT: 0926-XTB78962-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-XTB78962-01Size:250 mg

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CAS Number

1097789-62-2

MDL Number

MFCD00105689

Smiles

C1=CC=C (C (=C1) F) SCCC (=O) N

Molecular Formula

C9H10FNOS

Molecular Weight

199.25 g/mol

Controlled

Chemical Information

3-[(2-Fluorophenyl)sulfanyl]propanamide

CAS Number	1097789-62-2
PubChem CID	43236757
IUPAC Name	3-(2-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	177

SMILES

C1=CC=C(C(=C1)F)SCCC(=O)N

InChI

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

InChIKey

WQRNNPWGEKSBTE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1097789-62-2

CID: 43236757

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	177
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
YTB35419-01	3-[ (4-Fluorophenyl) sulfanyl]propanamide
YDA89802-01	3-[ (2-Aminophenyl) sulfanyl]propanamide
BCA93276-01	3-[ (2-Fluorophenyl) sulfanyl]propanenitrile
ABA46867-01	3- (4-Fluorophenyl) propanamide
LIC70599-01	2-Bromo-3- (4-fluorophenyl) propanamide
FWB15385-01	N- (2-Cyano-3-fluorophenyl) propanamide
CAA60531-01	[ (2-Fluorophenyl) sulfanyl]formonitrile
YIB05292-01	2-[ (2-Fluorophenyl) sulfanyl]acetohydrazide
NRB29366-01	3-Amino-2-[ (4-fluorophenyl) methyl]propanamide
HWB06076-01	3-[ (4-Cyano-2-fluorophenyl) amino]propanamide

Catalog	Name
sc-307548	2-Chloro-N- (2-fluorophenyl) propanamide
TRC-F589910-500MG	2-[(2-Fluorophenyl)sulfanyl]acetic Acid
sc-346712A	3-chloro-N- (2-fluorophenyl) propanamide
PC101231-01	2-Chloro-N- (4-fluorophenyl) propanamide
PC107033	2-Bromo-N- (4-fluorophenyl) propanamide
sc-341980	2-chloro-N- (3-fluorophenyl) propanamide
422766-01	3- (4-Bromo-2-fluorophenyl) propanamide
PC31961-01	3-Bromo-N- (2-fluorophenyl) propanamide
sc-330211	N- (5-Amino-2-fluorophenyl) propanamide
sc-321368	2-[ (4-Fluorophenyl) sulfanyl]-5-nitrobenzenecarbaldehyde