methyl 3-amino-4-cyano-5-methylthiophene-2-carboxylate

methyl 3-amino-4-cyano-5-methylthiophene-2-carboxylate

CAS: 85092-72-4

Formula: C8H8N2O2S

SMILES: COC(=O)C1=C(N)C(C#N)=C(C)S1

IUPAC: methyl 3-amino-4-cyano-5-methylthiophene-2-carboxylate

InChI: InChI=1S/C8H8N2O2S/c1-4-5(3-9)6(10)7(13-4)8(11)12-2/h10H2,1-2H3

Composition: C (48.97%), H (4.11%), N (14.28%), O (16.31%), S (16.34%)

Molar Mass: 196.22

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	196.03064868
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IVHYPGKMCSKNQO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.45
Topological Polar Surface Area	76.11
Polarizability	18.24
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	85092-72-4		$272.21-$665.51$272.21$665.51