5-cyano-N-[(dimethylamino)methylidene]-3-methyl-4-phenylthiophene-2-carboxamide

5-cyano-N-[(dimethylamino)methylidene]-3-methyl-4-phenylthiophene-2-carboxamide

CAS: 339111-53-4

Formula: C16H15N3OS

SMILES: CN(C)C=NC(=O)C1=C(C)C(=C(S1)C#N)C1=CC=CC=C1

IUPAC: 5-cyano-N-[(dimethylamino)methylidene]-3-methyl-4-phenylthiophene-2-carboxamide

InChI: InChI=1S/C16H15N3OS/c1-11-14(12-7-5-4-6-8-12)13(9-17)21-15(11)16(20)18-10-19(2)3/h4-8,10H,1-3H3

Composition: C (64.62%), H (5.08%), N (14.13%), O (5.38%), S (10.78%)

Molar Mass: 297.38

Atom Count: 36

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	297.093583289
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	YZZTULFMTCOHDQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.83
Topological Polar Surface Area	56.46
Polarizability	32.83
Ring Count	2
Rotatable Bond Count	2

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	339111-53-4		$51.35-$524.40$51.35$63.37$86.31$524.40