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2-amino-5-benzylthiophene-3-carbonitrile

2-amino-5-benzylthiophene-3-carbonitrile

CAS: 364596-21-4

Formula: C12H10N2S

SMILES: NC1=C(C=C(CC2=CC=CC=C2)S1)C#N

IUPAC: 2-amino-5-benzylthiophene-3-carbonitrile

InChI: InChI=1S/C12H10N2S/c13-8-10-7-11(15-12(10)14)6-9-4-2-1-3-5-9/h1-5,7H,6,14H2

Composition: C (67.26%), H (4.70%), N (13.07%), S (14.96%)

Molar Mass: 214.29

Atom Count: 25

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 214.056469504
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey JDJHEJKTLUMKAE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.42
Topological Polar Surface Area 49.81
Polarizability 23.31
Ring Count 2
Rotatable Bond Count 2

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