methyl 2-amino-5-heptylthiophene-3-carboxylate

methyl 2-amino-5-heptylthiophene-3-carboxylate

CAS: 1522415-97-9

Formula: C13H21NO2S

SMILES: CCCCCCCC1=CC(C(=O)OC)=C(N)S1

IUPAC: methyl 2-amino-5-heptylthiophene-3-carboxylate

InChI: InChI=1S/C13H21NO2S/c1-3-4-5-6-7-8-10-9-11(12(14)17-10)13(15)16-2/h9H,3-8,14H2,1-2H3

Composition: C (61.14%), H (8.29%), N (5.48%), O (12.53%), S (12.55%)

Molar Mass: 255.38

Atom Count: 38

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	255.129300094
Formal Charge	0
FSP3	0.62
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HUFNXSPJUAHQHP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	71.63
Topological Polar Surface Area	52.32
Polarizability	27.37
Ring Count	1
Rotatable Bond Count	8

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