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ethyl 2-amino-4H,5H,6H,7H,8H,9H,10H-cyclonona[b]thiophene-3-carboxylate

ethyl 2-amino-4H,5H,6H,7H,8H,9H,10H-cyclonona[b]thiophene-3-carboxylate

CAS: 438230-65-0

Formula: C14H21NO2S

SMILES: CCOC(=O)C1=C(N)SC2=C1CCCCCCC2

IUPAC: ethyl 2-amino-4H,5H,6H,7H,8H,9H,10H-cyclonona[b]thiophene-3-carboxylate

InChI: InChI=1S/C14H21NO2S/c1-2-17-14(16)12-10-8-6-4-3-5-7-9-11(10)18-13(12)15/h2-9,15H2,1H3

Composition: C (62.89%), H (7.92%), N (5.24%), O (11.97%), S (11.99%)

Molar Mass: 267.39

Atom Count: 39

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 267.129300094
Formal Charge 0
FSP3 0.64
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RXTAXYUBDXFEKC-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 75.02
Topological Polar Surface Area 52.32
Polarizability 28.4
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 438230-65-0 $134.76$134.76
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