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2-(2-methylpropyl)-1,3-dithiane

2-(2-methylpropyl)-1,3-dithiane structure

CAS No:
69824-23-3
Formula:
C8H16S2
Chemical Name:
2-(2-methylpropyl)-1,3-dithiane
Synonyms:
WGIHYSKTNRQNHP-UHFFFAOYSA; 2-ISOBUTYL-1,3-DITHIANE; InChI=1/C8H16S2/c1-7(2)6-8-9-4-3-5-10-8/h7-8H,3-6H2,1-2H3; 2-Isobutyl-1,3-dithian; 2-(i-butyl)-1,3-dithiane; 2-sek.-Butyl-1,3-dithian;Expand

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2-(2-methylpropyl)-1,3-dithiane Basic Attributes

Molecular Weight：

176.34300

Exact Mass：

176.06934286

DSSTox ID：

DTXSID40428800

HScode：

2934999090

Characteristics

PSA：

50.60000

XLogP3：

3.22870

Density：

0.999g/cm3

Boiling Point：

258ºC

Flash Point：

101.2ºC

Refractive Index：

1.5315

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26; S36/37/39

Computed Properties

Molecular Weight:176.3
XLogP3:3.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:176.06934286
Monoisotopic Mass:176.06934286
Topological Polar Surface Area:50.6
Heavy Atom Count:10
Complexity:85.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(2-methylpropyl)-1,3-dithiane

Basic Attributes
Characteristics
Safety Information
Computed Properties

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