2-ethynyl-1,3-benzothiazole

2-ethynyl-1,3-benzothiazole

Formula: C9H5NS

SMILES: C#CC1=NC2=CC=CC=C2S1

IUPAC: 2-ethynyl-1,3-benzothiazole

InChI: InChI=1S/C9H5NS/c1-2-9-10-7-5-3-4-6-8(7)11-9/h1,3-6H

Composition: C (67.90%), H (3.17%), N (8.80%), S (20.14%)

Molar Mass: 159.21

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	159.014270339
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	ZLVCPVCGNOKHRF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.78
Topological Polar Surface Area	12.89
Polarizability	18.22
Ring Count	2
Rotatable Bond Count	0

Suppliers

Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<14 Days	C9H5NS		Quote Only