methyl 3-methoxy-5-methylthiophene-2-carboxylate

methyl 3-methoxy-5-methylthiophene-2-carboxylate

CAS: 181063-59-2

Formula: C8H10O3S

SMILES: COC(=O)C1=C(OC)C=C(C)S1

IUPAC: methyl 3-methoxy-5-methylthiophene-2-carboxylate

InChI: InChI=1S/C8H10O3S/c1-5-4-6(10-2)7(12-5)8(9)11-3/h4H,1-3H3

Composition: C (51.60%), H (5.41%), O (25.77%), S (17.22%)

Molar Mass: 186.23

Atom Count: 22

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	186.035065356
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KDYOUEBKRYTCLS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.49
Topological Polar Surface Area	35.53
Polarizability	17.77
Ring Count	1
Rotatable Bond Count	3

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