4-(1,3-benzothiazol-2-ylsulfanyl)but-2-yn-1-ol

4-(1,3-benzothiazol-2-ylsulfanyl)but-2-yn-1-ol

Formula: C11H9NOS2

SMILES: OCC#CCSC1=NC2=CC=CC=C2S1

IUPAC: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-yn-1-ol

InChI: InChI=1S/C11H9NOS2/c13-7-3-4-8-14-11-12-9-5-1-2-6-10(9)15-11/h1-2,5-6,13H,7-8H2

Composition: C (56.15%), H (3.86%), N (5.95%), O (6.80%), S (27.25%)

Molar Mass: 235.32

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	235.012556262
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PTKQXUOEYIWAAT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.27
Topological Polar Surface Area	33.12
Polarizability	25.59
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C11H9NOS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00