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3-(acetylsulfanyl)oxolane-2,5-dione

3-(acetylsulfanyl)oxolane-2,5-dione

CAS: 6953-60-2

Formula: C6H6O4S

SMILES: CC(=O)SC1CC(=O)OC1=O

IUPAC: 3-(acetylsulfanyl)oxolane-2,5-dione

InChI: InChI=1/C6H6O4S/c1-3(7)11-4-2-5(8)10-6(4)9/h4H,2H2,1H3

Composition: C (41.38%), H (3.47%), O (36.74%), S (18.41%)

Molar Mass: 174.17

Atom Count: 17

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 173.998679847
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey AHTFMWCHTGEJHA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.26
Topological Polar Surface Area 60.44
Polarizability 15.23
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS UnitPrice
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95% <7 Days 6953-60-2 $40.37-$83.84$40.37$83.84
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