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(E)-N'-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-N,N-diethylmethanimidamide

(E)-N'-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-N,N-diethylmethanimidamide

Formula: C15H21N3S

SMILES: CCN(CC)C=NC1=C(C#N)C2=C(CCCCC2)S1

IUPAC: (E)-N'-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-N,N-diethylmethanimidamide

InChI: InChI=1S/C15H21N3S/c1-3-18(4-2)11-17-15-13(10-16)12-8-6-5-7-9-14(12)19-15/h11H,3-9H2,1-2H3/b17-11+

Composition: C (65.42%), H (7.69%), N (15.26%), S (11.64%)

Molar Mass: 275.41

Atom Count: 40

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 275.145618862
Formal Charge 0
FSP3 0.6
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey PPVOJXPATLBXCS-GZTJUZNOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.42
Topological Polar Surface Area 39.39
Polarizability 30.2
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H21N3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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