propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate

propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate

CAS: 350997-19-2

Formula: C15H17NO2S

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

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

InChI: InChI=1S/C15H17NO2S/c1-3-8-18-15(17)13-12(9-19-14(13)16)11-6-4-10(2)5-7-11/h4-7,9H,3,8,16H2,1-2H3

Composition: C (65.43%), H (6.22%), N (5.09%), O (11.62%), S (11.64%)

Molar Mass: 275.37

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	275.097999965
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KCBQLCZOZOIVJP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.5
Topological Polar Surface Area	52.32
Polarizability	30.94
Ring Count	2
Rotatable Bond Count	5

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