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ethyl 2,7-diamino-1-benzothiophene-3-carboxylate

ethyl 2,7-diamino-1-benzothiophene-3-carboxylate

Formula: C11H12N2O2S

SMILES: CCOC(=O)C1=C(N)SC2=C(N)C=CC=C12

IUPAC: ethyl 2,7-diamino-1-benzothiophene-3-carboxylate

InChI: InChI=1S/C11H12N2O2S/c1-2-15-11(14)8-6-4-3-5-7(12)9(6)16-10(8)13/h3-5H,2,12-13H2,1H3

Composition: C (55.92%), H (5.12%), N (11.86%), O (13.54%), S (13.57%)

Molar Mass: 236.29

Atom Count: 28

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 236.061948808
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey NIYGJLVVANWWDH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.73
Topological Polar Surface Area 78.34
Polarizability 25.05
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C11H12N2O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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