tert-butyl 5-aminothiophene-2-carboxylate

tert-butyl 5-aminothiophene-2-carboxylate

CAS: 1498311-57-1

Formula: C9H13NO2S

SMILES: CC(C)(C)OC(=O)C1=CC=C(N)S1

IUPAC: tert-butyl 5-aminothiophene-2-carboxylate

InChI: InChI=1S/C9H13NO2S/c1-9(2,3)12-8(11)6-4-5-7(10)13-6/h4-5H,10H2,1-3H3

Composition: C (54.25%), H (6.58%), N (7.03%), O (16.06%), S (16.09%)

Molar Mass: 199.27

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.066699837
Formal Charge	0
FSP3	0.44
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LTGIKGJDHZJMTE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.64
Topological Polar Surface Area	52.32
Polarizability	20.11
Ring Count	1
Rotatable Bond Count	3

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