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4-methyl-4-sulfanylpentan-2-one

4-methyl-4-sulfanylpentan-2-one

CAS: 19872-52-7

Formula: C6H12OS

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

IUPAC: 4-methyl-4-sulfanylpentan-2-one

InChI: InChI=1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3

Composition: C (54.50%), H (9.15%), O (12.10%), S (24.25%)

Molar Mass: 132.22

Atom Count: 20

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 132.06088618
Formal Charge 0
FSP3 0.83
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey QRNZMFDCKKEPSX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.78
Topological Polar Surface Area 17.07
Polarizability 14.91
Ring Count 0
Rotatable Bond Count 2

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