methyl 2-amino-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate

methyl 2-amino-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate

CAS: 350989-57-0

Formula: C13H12ClNO2S

SMILES: COC(=O)C1=C(N)SC(C)=C1C1=CC=C(Cl)C=C1

IUPAC: methyl 2-amino-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate

InChI: InChI=1S/C13H12ClNO2S/c1-7-10(8-3-5-9(14)6-4-8)11(12(15)18-7)13(16)17-2/h3-6H,15H2,1-2H3

Composition: C (55.42%), H (4.29%), Cl (12.58%), N (4.97%), O (11.36%), S (11.38%)

Molar Mass: 281.75

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	281.0277275
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YDTXFIUCMWUHLI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.05
Topological Polar Surface Area	52.32
Polarizability	29.13
Ring Count	2
Rotatable Bond Count	3

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