4-methyl-4-(methylsulfanyl)pentan-2-one

4-methyl-4-(methylsulfanyl)pentan-2-one

CAS: 23550-40-5

Formula: C7H14OS

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

IUPAC: 4-methyl-4-(methylsulfanyl)pentan-2-one

InChI: InChI=1S/C7H14OS/c1-6(8)5-7(2,3)9-4/h5H2,1-4H3

Composition: C (57.49%), H (9.65%), O (10.94%), S (21.92%)

Molar Mass: 146.25

Atom Count: 23

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	146.076536245
Formal Charge	0
FSP3	0.86
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	DHANVOSHQILVNQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.43
Topological Polar Surface Area	17.07
Polarizability	16.76
Ring Count	0
Rotatable Bond Count	3

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