methyl 1,1-dioxo-2,5-dihydro-1??-thiophene-3-carboxylate

methyl 1,1-dioxo-2,5-dihydro-1??-thiophene-3-carboxylate

CAS: 67488-50-0

Formula: C6H8O4S

SMILES: COC(=O)C1=CCS(=O)(=O)C1

IUPAC: methyl 1,1-dioxo-2,5-dihydro-1??-thiophene-3-carboxylate

InChI: InChI=1S/C6H8O4S/c1-10-6(7)5-2-3-11(8,9)4-5/h2H,3-4H2,1H3

Composition: C (40.90%), H (4.58%), O (36.32%), S (18.20%)

Molar Mass: 176.19

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	176.014329912
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YHHZABJZHHCDNW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.48
Topological Polar Surface Area	60.44
Polarizability	15.89
Ring Count	1
Rotatable Bond Count	2

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