2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone

CAS: 1036069-26-7

Formula: C11H11NO3S2

SMILES: OC1=CC=C(C=C1O)C(=O)CSC1=NCCS1

IUPAC: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethan-1-one

InChI: InChI=1S/C11H11NO3S2/c13-8-2-1-7(5-9(8)14)10(15)6-17-11-12-3-4-16-11/h1-2,5,13-14H,3-4,6H2

Composition: C (49.05%), H (4.12%), N (5.20%), O (17.82%), S (23.81%)

Molar Mass: 269.33

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	269.018035566
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	OHNNJGHRUIGGBO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.83
Topological Polar Surface Area	69.89
Polarizability	27.01
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	1036069-26-7		$107.53-$172.98$107.53$172.98