2-Hexylthiazole

CAT: 0127-OR1070963-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1070963-02Size:100 mg

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CAS Number

53000-19-4

Purity

95%

Smiles

CCCCCCC1=NC=CS1

Chemical Information

2-Hexylthiazole

CAS Number	53000-19-4
PubChem CID	53864369
IUPAC Name	2-hexyl-1,3-thiazole
Molecular Formula	C9H15NS
Molecular Weight	169.29
XLogP	3.8
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	11
Formal Charge	0
Complexity	95

SMILES

CCCCCCC1=NC=CS1

InChI

InChI=1S/C9H15NS/c1-2-3-4-5-6-9-10-7-8-11-9/h7-8H,2-6H2,1H3

InChIKey

QUABRUDJKFGLQK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53000-19-4

CID: 53864369

Formula: C9H15NS

MW: 169.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	169.29
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	169.09252066
Monoisotopic Mass	169.09252066
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	95.6
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

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