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3-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin

3-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin structure

CAS No:
63543-09-9
Formula:
C13H8S2
Chemical Name:
3-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin
Synonyms:
1,2-Dithiin,3-(5-hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-;1,2-Dithiin,3-(5-hexene-1,3-diynyl)-6-(1-propynyl)-;3-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin;Thiarubrin A;Thiarubrine A

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Description

Thiarubrine A is an organosulfur heterocyclic compound.

3-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin Basic Attributes

Molecular Weight：

228.3 g/mol

Exact Mass：

228.33

UNII：

DVV5W0EG1Z

DSSTox ID：

DTXSID80212947

Characteristics

PSA：

50.6 Å²

Drug Information

MeSH Entry Terms：

1-(2-methyleth-1-yn)-4-(hex-1,3-diyn-5-ene)-2,3-dithiacyclohex-1,3-diene

3-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin Use and Manufacturing

Use Classification：

Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]

Computed Properties

Molecular Weight:228.3
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:228.00674260
Monoisotopic Mass:228.00674260
Topological Polar Surface Area:50.6
Heavy Atom Count:15
Complexity:521
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(5-Hexene-1,3-diyn-1-yl)-6-(1-propyn-1-yl)-1,2-dithiin

Description
Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties

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