5,5''-DIBROMO-2,2':5',2''-TERTHIOPHENE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H6Br2S3
Molecular Weight	406.179
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5,5''-DIBROMO-2,2':5',2''-TERTHIOPHENE

Structure Search

SMILES

BrC1=CC=C(S1)C2=CC=C(S2)C3=CC=C(Br)S3

InChI

InChIKey=KXFPYYJGYVYXIB-UHFFFAOYSA-N

InChI=1S/C12H6Br2S3/c13-11-5-3-9(16-11)7-1-2-8(15-7)10-4-6-12(14)17-10/h1-6H

HIDE SMILES / InChI

Molecular Formula	C12H6Br2S3
Molecular Weight	406.179
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:45:44 GMT 2023` Edited by `admin` on `Sat Dec 16 12:45:44 GMT 2023`
Record UNII	HI93T94CTM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5,5''-DIBROMO-2,2':5',2''-TERTHIOPHENE

Systematic Name

English

5,5''-DIBROMO-.ALPHA.-TERTHIENYL

Systematic Name

English

2,2':5',2''-TERTHIOPHENE, 5,5''-DIBROMO-

Systematic Name

English

NSC-700236

Code

English

Code System Code Type Description

NSC

700236

Created by admin on Sat Dec 16 12:45:44 GMT 2023 , Edited by admin on Sat Dec 16 12:45:44 GMT 2023

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EPA CompTox

DTXSID70243407

Created by admin on Sat Dec 16 12:45:44 GMT 2023 , Edited by admin on Sat Dec 16 12:45:44 GMT 2023

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CAS

98057-08-0

Created by admin on Sat Dec 16 12:45:44 GMT 2023 , Edited by admin on Sat Dec 16 12:45:44 GMT 2023

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FDA UNII

HI93T94CTM

Created by admin on Sat Dec 16 12:45:44 GMT 2023 , Edited by admin on Sat Dec 16 12:45:44 GMT 2023

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PUBCHEM

176690

Created by admin on Sat Dec 16 12:45:44 GMT 2023 , Edited by admin on Sat Dec 16 12:45:44 GMT 2023

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