4-[(4-fluorophenyl)methyl]-1??-thiomorpholine-1,1-dione

4-[(4-fluorophenyl)methyl]-1??-thiomorpholine-1,1-dione

CAS: 477858-27-8

Formula: C11H14FNO2S

SMILES: FC1=CC=C(CN2CCS(=O)(=O)CC2)C=C1

IUPAC: 4-[(4-fluorophenyl)methyl]-1??-thiomorpholine-1,1-dione

InChI: InChI=1S/C11H14FNO2S/c12-11-3-1-10(2-4-11)9-13-5-7-16(14,15)8-6-13/h1-4H,5-9H2

Composition: C (54.30%), H (5.80%), F (7.81%), N (5.76%), O (13.15%), S (13.18%)

Molar Mass: 243.3

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	243.072928032
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	WITPYWNABUJHKE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.42
Topological Polar Surface Area	37.38
Polarizability	24.2
Ring Count	2
Rotatable Bond Count	2

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