methyl 3-{[2-(methylsulfanyl)quinazolin-4-yl]oxy}thiophene-2-carboxylate

methyl 3-{[2-(methylsulfanyl)quinazolin-4-yl]oxy}thiophene-2-carboxylate

CAS: 477845-77-5

Formula: C15H12N2O3S2

SMILES: COC(=O)C1=C(OC2=NC(SC)=NC3=CC=CC=C23)C=CS1

IUPAC: methyl 3-{[2-(methylsulfanyl)quinazolin-4-yl]oxy}thiophene-2-carboxylate

InChI: InChI=1S/C15H12N2O3S2/c1-19-14(18)12-11(7-8-22-12)20-13-9-5-3-4-6-10(9)16-15(17-13)21-2/h3-8H,1-2H3

Composition: C (54.20%), H (3.64%), N (8.43%), O (14.44%), S (19.29%)

Molar Mass: 332.39

Atom Count: 34

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	332.028934602
Formal Charge	0
FSP3	0.13
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	SOFJOEZTYOILON-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.97
Topological Polar Surface Area	61.31
Polarizability	34.4
Ring Count	3
Rotatable Bond Count	5

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	477845-77-5		$51.35-$86.31$51.35$63.37$86.31