2-{[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanyl}acetamide

2-{[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanyl}acetamide

Formula: C13H11N3O3S

SMILES: NC(=O)CSC1=NC=CC(=N1)C1=CC=C2OCOC2=C1

IUPAC: 2-{[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanyl}acetamide

InChI: InChI=1S/C13H11N3O3S/c14-12(17)6-20-13-15-4-3-9(16-13)8-1-2-10-11(5-8)19-7-18-10/h1-5H,6-7H2,(H2,14,17)

Composition: C (53.97%), H (3.83%), N (14.52%), O (16.59%), S (11.08%)

Molar Mass: 289.31

Atom Count: 31

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	289.0521124
Formal Charge	0
FSP3	0.15
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	IDKMKXFVUKLZNC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.01
Topological Polar Surface Area	87.33
Polarizability	29.93
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H11N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00