(2E)-3-({3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)prop-2-enoic acid

(2E)-3-({3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)prop-2-enoic acid

Formula: C12H10N2O3S

SMILES: OC(=O)C=CC(=O)NC1=C(C#N)C2=C(CCC2)S1

IUPAC: (2E)-3-({3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)prop-2-enoic acid

InChI: InChI=1S/C12H10N2O3S/c13-6-8-7-2-1-3-9(7)18-12(8)14-10(15)4-5-11(16)17/h4-5H,1-3H2,(H,14,15)(H,16,17)/b5-4+

Composition: C (54.95%), H (3.84%), N (10.68%), O (18.30%), S (12.22%)

Molar Mass: 262.28

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	262.041213364
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PIAPFXCCTUKVIL-SNAWJCMRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.69
Topological Polar Surface Area	90.19
Polarizability	24.42
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H10N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00