ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(thiophen-2-yl)-4H-pyran-3-carboxylate

ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(thiophen-2-yl)-4H-pyran-3-carboxylate

Formula: C14H13ClN2O3S

SMILES: CCOC(=O)C1=C(CCl)OC(N)=C(C#N)C1C1=CC=CS1

IUPAC: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(thiophen-2-yl)-4H-pyran-3-carboxylate

InChI: InChI=1/C14H13ClN2O3S/c1-2-19-14(18)12-9(6-15)20-13(17)8(7-16)11(12)10-4-3-5-21-10/h3-5,11H,2,6,17H2,1H3

Composition: C (51.77%), H (4.03%), Cl (10.92%), N (8.63%), O (14.78%), S (9.87%)

Molar Mass: 324.78

Atom Count: 34

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	324.0335412
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QPTWIFBEVOMTSS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.8
Topological Polar Surface Area	85.34
Polarizability	30.56
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H13ClN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00