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2,4-dimethyl-2-propyl-1,3-dithiolane

2,4-dimethyl-2-propyl-1,3-dithiolane structure

CAS No:
98561-12-7
Formula:
C8H16S2
Chemical Name:
2,4-dimethyl-2-propyl-1,3-dithiolane
Synonyms:
2,4-Dimethyl-2-propyl-1,3-dithiolane;98561-12-7;2,4-dimethyl-2-propyl-[1,3]dithiolane;BRN 0103902;1,3-DITHIOLANE, 2,4-DIMETHYL-2-PROPYL-;DTXSID20913183

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2,4-dimethyl-2-propyl-1,3-dithiolane Basic Attributes

Molecular Weight：

176.3 g/mol

Exact Mass：

176.06934286 g/mol

Characteristics

PSA：

50.6 Å²

XLogP3：

3.3712

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Intraperitoneal	Rodent - mouse	1500 mg/kg	Details of toxic effects not reported other than lethal dose value--	European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 17,235,1982

Computed Properties

Molecular Weight:176.3
XLogP3:3.3
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:114
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,4-dimethyl-2-propyl-1,3-dithiolane

Basic Attributes
Characteristics
Toxicity
Computed Properties

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