2- (4-fluorophenyl) benzo[d]thiazole

CAT: 0127-PC1023916Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1023916Size:250 mg

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CAS Number

1629-26-1

MDL Number

MFCD00579077

Purity

95%

Smiles

C1ccc2c (c1) sc (n2) c1ccc (cc1) F

Chemical Information

2-(4'-Fluorophenyl)-1,3-benzothiazole

structure in first source

CAS Number	1629-26-1
PubChem CID	242879
IUPAC Name	2-(4-fluorophenyl)-1,3-benzothiazole
Molecular Formula	C13H8FNS
Molecular Weight	229.27
XLogP	4.4
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	240

SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)F

InChI

InChI=1S/C13H8FNS/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H

InChIKey

MWIDLEVLPMTJDU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1629-26-1

CID: 242879

Formula: C13H8FNS

MW: 229.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.27
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	229.03614860
Monoisotopic Mass	229.03614860
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	240
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
PC1003287-01	2- (4-Fluorophenyl) benzo[d]imidazo[2,1-b]thiazole
OR1092567	2- (4-Ethylphenyl) benzo[d]thiazole
OR1005691	Benzo[d]thiazole-2,4-diamine
OR80226-01	2- (4-Bromophenyl) benzo[d]thiazole
OR86578-01	4- (Bromomethyl) benzo[d]thiazole
OR87613-01	Benzo[d]thiazole-4-carbaldehyde
PC101696	N- (4-Fluorophenyl) benzo[d]thiazol-2-amine
OR45147-01	Benzo[d]thiazole-2-carbonitrile
OR1047571-01	2-Chloro-4- (methylthio) benzo[d]thiazole
PC1004530-01	4-Bromo-2- (trifluoromethyl) benzo[d]thiazole

Catalog	Name
EWB53478-01	Benzo[D]thiazole-4,5-diamine
KAC52967-01	Benzo[d]thiazole-4-carboxylic acid
229612-01	2- (Piperidin-4-Ylthio) Benzo[D]Thiazole
MBS3617403-01	N-(4-fluorophenyl)benzo[d]thiazol-2-amine
M28897-01	N- (4-fluorophenyl) benzo[d]thiazol-2-amine
431122-01	4-Bromo-6-chloro-2- (methylthio) benzo[d]thiazole
284272-01	2-Methyl-5- (Piperidin-4-Yloxy) Benzo[D]Thiazole
415330-01	2-Amino-6-chloro-4- (trifluoromethyl) benzo[d]thiazole
277741-01	2- (4-Fluorophenyl) thiazole-4-carbaldehyde
270124-01	2-Chloro-4- (4-fluorophenyl) thiazole