2-tert-butyl 4-methyl 5-amino-3-methylthiophene-2,4-dicarboxylate

2-tert-butyl 4-methyl 5-amino-3-methylthiophene-2,4-dicarboxylate

Formula: C12H17NO4S

SMILES: COC(=O)C1=C(N)SC(C(=O)OC(C)(C)C)=C1C

IUPAC: 2-tert-butyl 4-methyl 5-amino-3-methylthiophene-2,4-dicarboxylate

InChI: InChI=1S/C12H17NO4S/c1-6-7(10(14)16-5)9(13)18-8(6)11(15)17-12(2,3)4/h13H2,1-5H3

Composition: C (53.12%), H (6.32%), N (5.16%), O (23.59%), S (11.82%)

Molar Mass: 271.33

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	271.087829205
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MJNXDMVHOIXXKK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.71
Topological Polar Surface Area	78.62
Polarizability	26.37
Ring Count	1
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H17NO4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00