2-amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

2-amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

CAS: 37071-21-9

Formula: C15H14N2S

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

IUPAC: 2-amino-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

InChI: InChI=1/C15H14N2S/c16-9-13-12-7-6-11(8-14(12)18-15(13)17)10-4-2-1-3-5-10/h1-5,11H,6-8,17H2

Composition: C (70.83%), H (5.55%), N (11.01%), S (12.60%)

Molar Mass: 254.35

Atom Count: 32

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	254.087769633
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZQJVUOUXDIKOII-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.81
Topological Polar Surface Area	49.81
Polarizability	27.94
Ring Count	3
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	37071-21-9		$235.29-$361.49$235.29$361.49