propyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate

propyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate

CAS: 904998-83-0

Formula: C16H19NO2S

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

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

InChI: InChI=1S/C16H19NO2S/c1-4-7-19-16(18)14-13(9-20-15(14)17)12-6-5-10(2)11(3)8-12/h5-6,8-9H,4,7,17H2,1-3H3

Composition: C (66.41%), H (6.62%), N (4.84%), O (11.06%), S (11.08%)

Molar Mass: 289.39

Atom Count: 39

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	289.11365003
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	VXLVSIFHUUMQQR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	83.54
Topological Polar Surface Area	52.32
Polarizability	32.71
Ring Count	2
Rotatable Bond Count	5

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