5-Ethynylthiazole hydrocloride

CAT: 0127-OR1030968-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1030968-01Size:100 mg

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CAS Number

2863686-85-3

Purity

95%

Smiles

C#CC1=CN=CS1.Cl

Chemical Information

5-Ethynylthiazole hydrocloride

CAS Number	2863686-85-3
PubChem CID	166597000
IUPAC Name	5-ethynyl-1,3-thiazole;hydrochloride
Molecular Formula	C5H4ClNS
Molecular Weight	145.61
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	102

SMILES

C#CC1=CN=CS1.Cl

InChI

InChI=1S/C5H3NS.ClH/c1-2-5-3-6-4-7-5;/h1,3-4H;1H

InChIKey

NHMDEGUGOFFOQQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2863686-85-3

CID: 166597000

Formula: C5H4ClNS

MW: 145.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	145.61
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	144.9752980
Monoisotopic Mass	144.9752980
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	102
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	2
Compound Is Canonicalized	Yes

Catalog	Name
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OR1027121-01	Mianserin Hydrocloride
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