ethyl 3-amino-4-chloro-1-benzothiophene-2-carboxylate

ethyl 3-amino-4-chloro-1-benzothiophene-2-carboxylate

CAS: 67189-92-8

Formula: C11H10ClNO2S

SMILES: CCOC(=O)C1=C(N)C2=C(Cl)C=CC=C2S1

IUPAC: ethyl 3-amino-4-chloro-1-benzothiophene-2-carboxylate

InChI: InChI=1S/C11H10ClNO2S/c1-2-15-11(14)10-9(13)8-6(12)4-3-5-7(8)16-10/h3-5H,2,13H2,1H3

Composition: C (51.67%), H (3.94%), Cl (13.86%), N (5.48%), O (12.51%), S (12.54%)

Molar Mass: 255.72

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	255.0120774
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YGLSXTDCHUONFR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.46
Topological Polar Surface Area	52.32
Polarizability	25.79
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	67189-92-8		$56.75-$75.66$56.75$75.66