 Home > Encyclopedia > 8-(2-hydroxyethylsulfanyl)-4-methyl-3,3-dioxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiole-6,9-dione

8-(2-hydroxyethylsulfanyl)-4-methyl-3,3-dioxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiole-6,9-dione

8-(2-hydroxyethylsulfanyl)-4-methyl-3,3-dioxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiole-6,9-dione structure

CAS No:
125219-99-0
Formula:
C15H18O5S2
Chemical Name:
8-(2-hydroxyethylsulfanyl)-4-methyl-3,3-dioxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiole-6,9-dione
Synonyms:
4-methyl-8-(2-hydroxyethylthio)-3,3,6,9-tetraoxo-1,2,5,5a,6,9,9a,9b-octahydrothieno[3,2-a]naphthalene; Naphtho(2,1-b)thiophene-6,9-dione,1,2,5,5a,9a,9b-hexahydro-8-((2-hydroxyethyl)thio)-4-methyl-,3,3-dioxide;

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8-(2-hydroxyethylsulfanyl)-4-methyl-3,3-dioxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiole-6,9-dione Basic Attributes

Molecular Weight：

342.43000

Exact Mass：

342.05956602

Characteristics

PSA：

122.19000

XLogP3：

2.17320

Density：

1.47g/cm3

Boiling Point：

623.3ºC at 760mmHg

Flash Point：

330.8ºC

Refractive Index：

1.633

Vapor Pressure：

3.79E-18mmHg at 25°C

Computed Properties

Molecular Weight:342.4
XLogP3:-0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:342.05956602
Monoisotopic Mass:342.05956602
Topological Polar Surface Area:122
Heavy Atom Count:22
Complexity:696
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-(2-hydroxyethylsulfanyl)-4-methyl-3,3-dioxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiole-6,9-dione

Basic Attributes
Characteristics
Computed Properties

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