(2E)-3-(4-bromothiophen-2-yl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide

(2E)-3-(4-bromothiophen-2-yl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide

Formula: C13H13BrN2O2S

SMILES: BrC1=CSC(C=C(/C#N)C(=O)NCC2CCCO2)=C1

IUPAC: (2E)-3-(4-bromothiophen-2-yl)-2-cyano-N-[(oxolan-2-yl)methyl]prop-2-enamide

InChI: InChI=1/C13H13BrN2O2S/c14-10-5-12(19-8-10)4-9(6-15)13(17)16-7-11-2-1-3-18-11/h4-5,8,11H,1-3,7H2,(H,16,17)/b9-4+

Composition: C (45.76%), H (3.84%), Br (23.42%), N (8.21%), O (9.38%), S (9.40%)

Molar Mass: 341.22

Atom Count: 32

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	339.988112
Formal Charge	0
FSP3	0.38
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BDAPDBDCDFZJJM-RUDMXATFNA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.6
Topological Polar Surface Area	62.12
Polarizability	29.28
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H13BrN2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00