THIARUBRINE B

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H8S2
Molecular Weight	228.333
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of THIARUBRINE B

Structure Search

SMILES

CC#CC#CC1=CC=C(SS1)C#CC=C

InChI

InChIKey=BXWWIWROJFOGMW-UHFFFAOYSA-N

InChI=1S/C13H8S2/c1-3-5-7-9-13-11-10-12(14-15-13)8-6-4-2/h4,10-11H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula	C13H8S2
Molecular Weight	228.333
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 04:17:50 GMT 2023` Edited by `admin` on `Sat Dec 16 04:17:50 GMT 2023`
Record UNII	69062K06O1
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

THIARUBRINE B

Common Name

English

3-(3,5-HEXADIEN-1-YNYL)-6-(1-PROPYNYL)-1,2-DITHIIN

Systematic Name

English

1,2-DITHIIN, 3-(3-BUTEN-1-YNYL)-6-(1,3-PENTADIYNYL)-

Systematic Name

English

THIARUBRIN B

Common Name

English

THIARUBRINE B [MI]

Common Name

English

O-DITHIIN, 3-(3-BUTEN-1-YNYL)-6-(1,3-PENTADIYNYL)-

Common Name

English

Code System Code Type Description

CAS

71539-72-5

Created by admin on Sat Dec 16 04:17:50 GMT 2023 , Edited by admin on Sat Dec 16 04:17:50 GMT 2023

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EPA CompTox

DTXSID00221773

Created by admin on Sat Dec 16 04:17:50 GMT 2023 , Edited by admin on Sat Dec 16 04:17:50 GMT 2023

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FDA UNII

69062K06O1

Created by admin on Sat Dec 16 04:17:50 GMT 2023 , Edited by admin on Sat Dec 16 04:17:50 GMT 2023

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MERCK INDEX

m10726

Created by admin on Sat Dec 16 04:17:50 GMT 2023 , Edited by admin on Sat Dec 16 04:17:50 GMT 2023

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Merck Index

PUBCHEM

441551

Created by admin on Sat Dec 16 04:17:50 GMT 2023 , Edited by admin on Sat Dec 16 04:17:50 GMT 2023

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