methyl 2-amino-4-(2,5-dimethylphenyl)thiophene-3-carboxylate

methyl 2-amino-4-(2,5-dimethylphenyl)thiophene-3-carboxylate

CAS: 350990-26-0

Formula: C14H15NO2S

SMILES: COC(=O)C1=C(N)SC=C1C1=CC(C)=CC=C1C

IUPAC: methyl 2-amino-4-(2,5-dimethylphenyl)thiophene-3-carboxylate

InChI: InChI=1S/C14H15NO2S/c1-8-4-5-9(2)10(6-8)11-7-18-13(15)12(11)14(16)17-3/h4-7H,15H2,1-3H3

Composition: C (64.34%), H (5.79%), N (5.36%), O (12.24%), S (12.27%)

Molar Mass: 261.34

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	261.082349901
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	FNJZCTOWRDLENB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.27
Topological Polar Surface Area	52.32
Polarizability	29.02
Ring Count	2
Rotatable Bond Count	3

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