2-Chloro-5-phenylthiazole

CAT: 0127-OR1046281-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1046281-01Size:100 mg

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CAS Number

329794-40-3

MDL Number

MFCD08236828

Purity

95%

Smiles

ClC1=NC=C(C2=CC=CC=C2)S1

Chemical Information

2-Chloro-5-phenyl-1,3-thiazole

CAS Number	329794-40-3
PubChem CID	21788840
IUPAC Name	2-chloro-5-phenyl-1,3-thiazole
Molecular Formula	C9H6ClNS
Molecular Weight	195.67
XLogP	3.6
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=CN=C(S2)Cl

InChI

InChI=1S/C9H6ClNS/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-6H

InChIKey

UNVPEJONCUTPSB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 329794-40-3

CID: 21788840

Formula: C9H6ClNS

MW: 195.67

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.67
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	194.9909481
Monoisotopic Mass	194.9909481
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
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OR94164-01	Ethyl 2-phenylthiazole-5-carboxylate

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