S-TRIFLUOROMETHYL P-TOLUENETHIOSULFONATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H7F3O2S2
Molecular Weight	256.265
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of S-TRIFLUOROMETHYL P-TOLUENETHIOSULFONATE

Structure Search

SMILES

CC1=CC=C(C=C1)S(=O)(=O)SC(F)(F)F

InChI

InChIKey=BMWAIPXLPUNZLV-UHFFFAOYSA-N

InChI=1S/C8H7F3O2S2/c1-6-2-4-7(5-3-6)15(12,13)14-8(9,10)11/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula	C8H7F3O2S2
Molecular Weight	256.265
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 18:07:36 GMT 2023` Edited by `admin` on `Sat Dec 16 18:07:36 GMT 2023`
Record UNII	2HLE53C9EP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

S-TRIFLUOROMETHYL P-TOLUENETHIOSULFONATE

Common Name

English

P-TOLUENESULFONIC ACID, THIO-, S-TRIFLUOROMETHYL ESTER

Systematic Name

English

NSC-135781

Code

English

Code System Code Type Description

EPA CompTox

DTXSID10934448

Created by admin on Sat Dec 16 18:07:36 GMT 2023 , Edited by admin on Sat Dec 16 18:07:36 GMT 2023

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FDA UNII

2HLE53C9EP

Created by admin on Sat Dec 16 18:07:36 GMT 2023 , Edited by admin on Sat Dec 16 18:07:36 GMT 2023

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NSC

135781

Created by admin on Sat Dec 16 18:07:36 GMT 2023 , Edited by admin on Sat Dec 16 18:07:36 GMT 2023

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CAS

15223-20-8

Created by admin on Sat Dec 16 18:07:36 GMT 2023 , Edited by admin on Sat Dec 16 18:07:36 GMT 2023

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PUBCHEM

97601

Created by admin on Sat Dec 16 18:07:36 GMT 2023 , Edited by admin on Sat Dec 16 18:07:36 GMT 2023

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