4-amino-5-benzoyl-2-{[(2-methylphenyl)methyl]sulfanyl}thiophene-3-carbonitrile

4-amino-5-benzoyl-2-{[(2-methylphenyl)methyl]sulfanyl}thiophene-3-carbonitrile

CAS: 478081-55-9

Formula: C20H16N2OS2

SMILES: CC1=C(CSC2=C(C#N)C(N)=C(S2)C(=O)C2=CC=CC=C2)C=CC=C1

IUPAC: 4-amino-5-benzoyl-2-{[(2-methylphenyl)methyl]sulfanyl}thiophene-3-carbonitrile

InChI: InChI=1S/C20H16N2OS2/c1-13-7-5-6-10-15(13)12-24-20-16(11-21)17(22)19(25-20)18(23)14-8-3-2-4-9-14/h2-10H,12,22H2,1H3

Composition: C (65.91%), H (4.42%), N (7.69%), O (4.39%), S (17.59%)

Molar Mass: 364.48

Atom Count: 41

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	364.070405491
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MXEPEXLNMDRTAW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	105.57
Topological Polar Surface Area	66.88
Polarizability	39.87
Ring Count	3
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	478081-55-9		$51.35-$524.40$51.35$63.37$86.31$524.40