1-phenyl-2-(thiophen-3-yl)ethane-1,2-dione

1-phenyl-2-(thiophen-3-yl)ethane-1,2-dione

CAS: 135490-84-5

Formula: C12H8O2S

SMILES: O=C(C(=O)C1=CC=CC=C1)C1=CSC=C1

IUPAC: 1-phenyl-2-(thiophen-3-yl)ethane-1,2-dione

InChI: InChI=1S/C12H8O2S/c13-11(9-4-2-1-3-5-9)12(14)10-6-7-15-8-10/h1-8H

Composition: C (66.65%), H (3.73%), O (14.80%), S (14.83%)

Molar Mass: 216.25

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	216.024500672
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	IVQIVGIXJNMZMZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.18
Topological Polar Surface Area	34.14
Polarizability	22.37
Ring Count	2
Rotatable Bond Count	3

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