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3-(acetylsulfanyl)hexyl acetate

3-(acetylsulfanyl)hexyl acetate

CAS: 136954-25-1

Formula: C10H18O3S

SMILES: CCCC(CCOC(C)=O)SC(C)=O

IUPAC: 3-(acetylsulfanyl)hexyl acetate

InChI: InChI=1/C10H18O3S/c1-4-5-10(14-9(3)12)6-7-13-8(2)11/h10H,4-7H2,1-3H3

Composition: C (55.02%), H (8.31%), O (21.99%), S (14.69%)

Molar Mass: 218.31

Atom Count: 32

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 218.097665614
Formal Charge 0
FSP3 0.8
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey GSJSVAFGVJLTNQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.66
Topological Polar Surface Area 43.37
Polarizability 23.1
Ring Count 0
Rotatable Bond Count 8

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