methyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate

methyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate

CAS: 350988-34-0

Formula: C13H13NO3S

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

IUPAC: methyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate

InChI: InChI=1S/C13H13NO3S/c1-16-9-5-3-8(4-6-9)10-7-18-12(14)11(10)13(15)17-2/h3-7H,14H2,1-2H3

Composition: C (59.30%), H (4.98%), N (5.32%), O (18.23%), S (12.18%)

Molar Mass: 263.31

Atom Count: 31

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	263.061614457
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZGOUZQMMKJXNQQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.65
Topological Polar Surface Area	61.55
Polarizability	28.01
Ring Count	2
Rotatable Bond Count	4

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