2-(2-hydroxyethylsulfanyl)-3-methylnaphthalene-1,4-dione

CAS: 59147-84-1

Molecular Formula	`C13H12O3S`
Molecular Weight	248.3 g/mol
LogP	1.4
Topological Polar Surface Area	79.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	248.05072
Heavy Atoms	17
Complexity	373.0

Chemical Identifiers

CAS Number	59147-84-1
SMILES	`CC1=C(C(=O)C2=CC=CC=C2C1=O)SCCO`
InChIKey	`MZIOEPIEDDJOPP-UHFFFAOYSA-N`

📖 Product Overview

2-(2-hydroxyethylsulfanyl)-3-methylnaphthalene-1,4-dione (CAS: 59147-84-1) is a chemical compound with molecular formula C13H12O3S and molecular weight 248.3 g/mol. Its IUPAC systematic name is 2-(2-hydroxyethylsulfanyl)-3-methylnaphthalene-1,4-dione. LogP 1.4 Topological Polar Surface Area 79.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 248.05072 Heavy Atoms 17 Complexity 373.0 InChI Key: MZIOEPIEDDJOPP-UHFFFAOYSA-N. SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)SCCO.

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