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2-pentyl-1,3-dithiane

2-pentyl-1,3-dithiane structure

CAS No:
21777-32-2
Formula:
C9H18S2
Chemical Name:
2-pentyl-1,3-dithiane
Synonyms:
2-Pentyl-1,3-dithian; 1,3-Dithiane,2-pentyl; 2-n-Pentyl-1,3-dithian; 1,3-Dithiacyclohexane,2-pentyl; Hexanal-1,3-dithiane; 2-amyl-1,3-dithiane;Expand

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2-pentyl-1,3-dithiane Basic Attributes

Molecular Weight：

190.36900

Exact Mass：

190.08499292 g/mol

DSSTox ID：

DTXSID60176179

HScode：

2934999090

Characteristics

PSA：

50.60000

XLogP3：

3.76290

Density：

0.988g/cm3

Boiling Point：

275ºC

Flash Point：

115.5ºC

Refractive Index：

1.514

Vapor Pressure：

0.00878mmHg at 25°C

Drug Information

MeSH Entry Terms：

hexanal-1,3-dithiane

Computed Properties

Molecular Weight:190.4
XLogP3:4.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:190.08499292
Monoisotopic Mass:190.08499292
Topological Polar Surface Area:50.6
Heavy Atom Count:11
Complexity:87.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-pentyl-1,3-dithiane

Basic Attributes
Characteristics
Drug Information
Computed Properties

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