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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 A

SMILES

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

InChI

InChIKey=XZHCLKKXXPKULI-UHFFFAOYSA-N
InChI=1S/C13H8S2/c1-3-5-6-7-9-13-11-10-12(8-4-2)14-15-13/h3,10-11H,1H2,2H3

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

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 02:27:48 GMT 2023
Edited
by admin
on Sat Dec 16 02:27:48 GMT 2023
Record UNII
DVV5W0EG1Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIARUBRINE A
MI  
Common Name English
THIARUBRINE A [MI]
Common Name English
1,2-DITHIIN, 3-(5-HEXENE-1,3-DIYNYL)-6-(1-PROPYNYL)-
Systematic Name English
3-(5-HEXENE-1,3-DIYNYL)-6-(1-PROPYNYL)-1,2-DITHIIN
Systematic Name English
1,2-DITHIIN, 3-(5-HEXENE-1,3-DIYN-1-YL)-6-(1-PROPYN-1-YL)-
Systematic Name English
THIARUBRIN A
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID80212947
Created by admin on Sat Dec 16 02:27:48 GMT 2023 , Edited by admin on Sat Dec 16 02:27:48 GMT 2023
PRIMARY
CAS
63543-09-9
Created by admin on Sat Dec 16 02:27:48 GMT 2023 , Edited by admin on Sat Dec 16 02:27:48 GMT 2023
PRIMARY
FDA UNII
DVV5W0EG1Z
Created by admin on Sat Dec 16 02:27:48 GMT 2023 , Edited by admin on Sat Dec 16 02:27:48 GMT 2023
PRIMARY
MERCK INDEX
m10726
Created by admin on Sat Dec 16 02:27:48 GMT 2023 , Edited by admin on Sat Dec 16 02:27:48 GMT 2023
PRIMARY Merck Index
PUBCHEM
72386
Created by admin on Sat Dec 16 02:27:48 GMT 2023 , Edited by admin on Sat Dec 16 02:27:48 GMT 2023
PRIMARY