methyl 2-amino-5-propylthiophene-3-carboxylate

methyl 2-amino-5-propylthiophene-3-carboxylate

CAS: 343855-83-4

Formula: C9H13NO2S

SMILES: CCCC1=CC(C(=O)OC)=C(N)S1

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

InChI: InChI=1S/C9H13NO2S/c1-3-4-6-5-7(8(10)13-6)9(11)12-2/h5H,3-4,10H2,1-2H3

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	MPMLOEOVNAKTOS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.23
Topological Polar Surface Area	52.32
Polarizability	20.03
Ring Count	1
Rotatable Bond Count	4

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