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2-[(2-hydroxyethyl)sulfanyl]-3-methylnaphthalene-1,4-dione

2-[(2-hydroxyethyl)sulfanyl]-3-methylnaphthalene-1,4-dione

CAS: 59147-84-1

Formula: C13H12O3S

SMILES: CC1=C(SCCO)C(=O)C2=C(C=CC=C2)C1=O

IUPAC: 2-[(2-hydroxyethyl)sulfanyl]-3-methyl-1,4-dihydronaphthalene-1,4-dione

InChI: InChI=1S/C13H12O3S/c1-8-11(15)9-4-2-3-5-10(9)12(16)13(8)17-7-6-14/h2-5,14H,6-7H2,1H3

Composition: C (62.89%), H (4.87%), O (19.33%), S (12.91%)

Molar Mass: 248.3

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 248.05071542
Formal Charge 0
FSP3 0.23
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey MZIOEPIEDDJOPP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.78
Topological Polar Surface Area 54.37
Polarizability 26.06
Ring Count 2
Rotatable Bond Count 3

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97% <7 Days 59147-84-1 $18.70-$187.00$18.70$46.75$187.00
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