2-amino-4-(4-butylphenyl)thiophene-3-carbonitrile

2-amino-4-(4-butylphenyl)thiophene-3-carbonitrile

CAS: 519016-85-4

Formula: C15H16N2S

SMILES: CCCCC1=CC=C(C=C1)C1=CSC(N)=C1C#N

IUPAC: 2-amino-4-(4-butylphenyl)thiophene-3-carbonitrile

InChI: InChI=1S/C15H16N2S/c1-2-3-4-11-5-7-12(8-6-11)14-10-18-15(17)13(14)9-16/h5-8,10H,2-4,17H2,1H3

Composition: C (70.28%), H (6.29%), N (10.93%), S (12.51%)

Molar Mass: 256.37

Atom Count: 34

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	256.103419697
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LNLLHBMJPBKKNA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.73
Topological Polar Surface Area	49.81
Polarizability	30.22
Ring Count	2
Rotatable Bond Count	4

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