3-Fluoro-4-thiomorpholin-4-ylaniline

CAT: 0127-PC1001497-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-PC1001497-01Size:5 g

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CAS Number

237432-11-0

MDL Number

MFCD09953533

Purity

97%

Smiles

C1=CC(=C(C=C1N)F)N2CCSCC2

Chemical Information

3-Fluoro-4-thiomorpholinoaniline

CAS Number	237432-11-0
PubChem CID	10822443
IUPAC Name	3-fluoro-4-thiomorpholin-4-ylaniline
Molecular Formula	C10H13FN2S
Molecular Weight	212.29
XLogP	1.9
Topological Polar Surface Area	54.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	185

SMILES

C1CSCCN1C2=C(C=C(C=C2)N)F

InChI

InChI=1S/C10H13FN2S/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2

InChIKey

XWGJVQLPRBNUNS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 237432-11-0

CID: 10822443

Formula: C10H13FN2S

MW: 212.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.29
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	212.07834776
Monoisotopic Mass	212.07834776
Topological Polar Surface Area	54.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	185
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
OR89665-01	4-Naphthalen-1-ylaniline
OR52766-01	4-Piperazin-1-ylaniline
OR2693	3-Nitro-4-pyrrolidin-1-ylaniline
OR15298	4- (Thiomorpholin-4-yl) benzaldehyde
OR1081656-01	3- (Thiomorpholin-4-ylmethyl) phenylboronic acid
OR110540	2-Methyl-4-morpholin-4-ylaniline
OR4024-01	3- (Thiomorpholin-4-ylcarbonyl) benzeneboronic acid
BUP23501-01	3-oxo-3- (Thiomorpholin-4-yl) propanenitrile
OR361650	4- (Thiomorpholin-4-ylmethyl) phenylboronic acid
OR4124-01	4- (Thiomorpholin-4-ylsulphonyl) benzeneboronic acid

Catalog	Name
sc-284445	4-Thiomorpholin-4-ylaniline
233553-01	4-Thiomorpholin-4-ylaniline 99+% (GC)
sc-492808	7-fluoro-3-[ (4-fluorophenyl) sulfonyl]-4-thiomorpholin-4-ylquinoline
sc-492795	3-[ (3,4-difluorophenyl) sulfonyl]-6-fluoro-4-thiomorpholin-4-ylquinoline
sc-492809	7-fluoro-3-[ (3-fluorophenyl) sulfonyl]-4-thiomorpholin-4-ylquinoline
TYD-02848-01	4-piperidin-3-ylaniline
sc-256542	3-Morpholin-4-ylaniline
QBA03444-01	3-Pyridin-4-ylaniline
sc-493696	3-[ (7-fluoro-4-thiomorpholin-4-ylquinolin-3-yl) sulfonyl]benzonitrile
sc-276146	3-Chloro-4-morpholin-4-ylaniline