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methyl 2-amino-4-methylthiophene-3-carboxylate

methyl 2-amino-4-methylthiophene-3-carboxylate

CAS: 4651-98-3

Formula: C7H9NO2S

SMILES: COC(=O)C1=C(N)SC=C1C

IUPAC: methyl 2-amino-4-methylthiophene-3-carboxylate

InChI: InChI=1S/C7H9NO2S/c1-4-3-11-6(8)5(4)7(9)10-2/h3H,8H2,1-2H3

Composition: C (49.11%), H (5.30%), N (8.18%), O (18.69%), S (18.73%)

Molar Mass: 171.21

Atom Count: 20

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 171.035399708
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey PLLLBSPBFALBFB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.09
Topological Polar Surface Area 52.32
Polarizability 16.38
Ring Count 1
Rotatable Bond Count 2

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