methyl 3-amino-4-(4-ethylbenzenesulfonyl)thiophene-2-carboxylate

methyl 3-amino-4-(4-ethylbenzenesulfonyl)thiophene-2-carboxylate

CAS: 1982158-72-4

Formula: C14H15NO4S2

SMILES: CCC1=CC=C(C=C1)S(=O)(=O)C1=CSC(C(=O)OC)=C1N

IUPAC: methyl 3-amino-4-(4-ethylbenzenesulfonyl)thiophene-2-carboxylate

InChI: InChI=1S/C14H15NO4S2/c1-3-9-4-6-10(7-5-9)21(17,18)11-8-20-13(12(11)15)14(16)19-2/h4-8H,3,15H2,1-2H3

Composition: C (51.68%), H (4.65%), N (4.30%), O (19.67%), S (19.71%)

Molar Mass: 325.4

Atom Count: 36

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	325.044250315
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PTZXAJCCPWRRRG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.85
Topological Polar Surface Area	86.46
Polarizability	32.28
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	1982158-72-4		$51.35-$86.31$51.35$63.37$86.31