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3-(3-Buten-1-yn-1-yl)-6-(1,3-pentadiyn-1-yl)-1,2-dithiin

3-(3-Buten-1-yn-1-yl)-6-(1,3-pentadiyn-1-yl)-1,2-dithiin structure

CAS No:
71539-72-5
Formula:
C13H8S2
Chemical Name:
3-(3-Buten-1-yn-1-yl)-6-(1,3-pentadiyn-1-yl)-1,2-dithiin
Synonyms:
1,2-Dithiin,3-(3-buten-1-yn-1-yl)-6-(1,3-pentadiyn-1-yl)-;1,2-Dithiin,3-(3-buten-1-ynyl)-6-(1,3-pentadiynyl)-;o-Dithiin,3-(3-buten-1-ynyl)-6-(1,3-pentadiynyl)-;3-(3-Buten-1-yn-1-yl)-6-(1,3-pentadiyn-1-yl)-1,2-dithiin;Thiarubrine B;Thiarubrin B

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Description

Thiarubrine B is an organosulfur heterocyclic compound.

3-(3-Buten-1-yn-1-yl)-6-(1,3-pentadiyn-1-yl)-1,2-dithiin Basic Attributes

Molecular Weight：

228.3 g/mol

Exact Mass：

228.33

UNII：

69062K06O1

DSSTox ID：

DTXSID00221773

Characteristics

PSA：

50.6 Å²

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-(3-Buten-1-yn-1-yl)-6-(1,3-pentadiyn-1-yl)-1,2-dithiin

Description
Basic Attributes
Characteristics
Computed Properties

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