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5-(piperazin-1-yl)thiophene-2-carbaldehyde

5-(piperazin-1-yl)thiophene-2-carbaldehyde

Formula: C9H12N2OS

SMILES: O=CC1=CC=C(S1)N1CCNCC1

IUPAC: 5-(piperazin-1-yl)thiophene-2-carbaldehyde

InChI: InChI=1S/C9H12N2OS/c12-7-8-1-2-9(13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2

Composition: C (55.08%), H (6.16%), N (14.27%), O (8.15%), S (16.33%)

Molar Mass: 196.27

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 196.067034188
Formal Charge 0
FSP3 0.44
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HWRCNHFGKABYGW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.88
Topological Polar Surface Area 32.34
Polarizability 20.2
Ring Count 2
Rotatable Bond Count 2

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