5-Iodo-2-phenylthiazole

CAT: 0127-OR1045317-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1045317-01Size:100 mg

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CAS Number

1000029-07-1

MDL Number

MFCD27996341

Purity

95%

Smiles

IC1=CN=C(C2=CC=CC=C2)S1

Chemical Information

5-Iodo-2-phenylthiazole

CAS Number	1000029-07-1
PubChem CID	73554588
IUPAC Name	5-iodo-2-phenyl-1,3-thiazole
Molecular Formula	C9H6INS
Molecular Weight	287.12
XLogP	3.3
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	147

SMILES

C1=CC=C(C=C1)C2=NC=C(S2)I

InChI

InChI=1S/C9H6INS/c10-8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H

InChIKey

KYBZIVOEYAIDAI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1000029-07-1

CID: 73554588

Formula: C9H6INS

MW: 287.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	287.12
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	286.92657
Monoisotopic Mass	286.92657
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	147
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
OR73406-01	5-Bromo-2-phenylthiazole
OR91034-01	5-Phenylthiazole
OR1094695-01	5- (methylthio) -2-phenylthiazole
OR1050448-01	5-Phenylthiazole-2-carbaldehyde
OR1046281-01	2-Chloro-5-phenylthiazole
OR72950-01	2-Bromo-5-phenylthiazole
OR903003-01	2-Phenylthiazole
OR300695-01	2-Phenylthiazole-5-carboxylic acid
OR94164-01	Ethyl 2-phenylthiazole-5-carboxylate
OR300667	Methyl 2-phenylthiazole-5-carboxylate

Catalog	Name
269594-01	2-Chloro-5-phenylthiazole
GTR19254332-01	2-Bromo-5-phenylthiazole
GTR19250886-01	2-Phenylthiazole
XGA67868-01	Methyl 2-phenylthiazole-5-carboxylate
261097-01	2-Amino-5-methyl-4-phenylthiazole
D05795	2,4-Diamino-5-phenylthiazole monohydrobromide
MBS6067001-01	Diamino-5-phenylthiazole Hydrobromide
275885-01	Ethyl 2-amino-4-phenylthiazole-5-carboxylate
HY-W016689-01	2-Amino-4-phenylthiazole
GBA78506-01	Ethyl 5-amino-2-phenylthiazole-4-carboxylate