methyl 2-({3-cyano-5H,6H,7H-cyclopenta[b]pyridin-2-yl}sulfanyl)acetate

methyl 2-({3-cyano-5H,6H,7H-cyclopenta[b]pyridin-2-yl}sulfanyl)acetate

Formula: C12H12N2O2S

SMILES: COC(=O)CSC1=NC2=C(CCC2)C=C1C#N

IUPAC: methyl 2-({3-cyano-5H,6H,7H-cyclopenta[b]pyridin-2-yl}sulfanyl)acetate

InChI: InChI=1S/C12H12N2O2S/c1-16-11(15)7-17-12-9(6-13)5-8-3-2-4-10(8)14-12/h5H,2-4,7H2,1H3

Composition: C (58.05%), H (4.87%), N (11.28%), O (12.89%), S (12.91%)

Molar Mass: 248.3

Atom Count: 29

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	248.061948808
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HKUIJBBQSGBLQK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.15
Topological Polar Surface Area	62.98
Polarizability	25.28
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H12N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00