TOSYLACETONITRILE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H9NO2S
Molecular Weight	195.238
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TOSYLACETONITRILE

Structure Search

SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC#N

InChI

InChIKey=BBNNLJMGPASZPD-UHFFFAOYSA-N

InChI=1S/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,7H2,1H3

HIDE SMILES / InChI

Molecular Formula	C9H9NO2S
Molecular Weight	195.238
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 `Wed Apr 02 11:01:10 GMT 2025` Edited by `admin` on `Wed Apr 02 11:01:10 GMT 2025`
Record UNII	3XRA8X3VVZ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-125922

Preferred Name

English

TOSYLACETONITRILE

Systematic Name

English

Code System Code Type Description

FDA UNII

3XRA8X3VVZ

Created by admin on Wed Apr 02 11:01:10 GMT 2025 , Edited by admin on Wed Apr 02 11:01:10 GMT 2025

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CAS

5697-44-9

Created by admin on Wed Apr 02 11:01:10 GMT 2025 , Edited by admin on Wed Apr 02 11:01:10 GMT 2025

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ECHA (EC/EINECS)

227-173-7

Created by admin on Wed Apr 02 11:01:10 GMT 2025 , Edited by admin on Wed Apr 02 11:01:10 GMT 2025

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EPA CompTox

DTXSID90205547

Created by admin on Wed Apr 02 11:01:10 GMT 2025 , Edited by admin on Wed Apr 02 11:01:10 GMT 2025

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NSC

125922

Created by admin on Wed Apr 02 11:01:10 GMT 2025 , Edited by admin on Wed Apr 02 11:01:10 GMT 2025

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PUBCHEM

79776

Created by admin on Wed Apr 02 11:01:10 GMT 2025 , Edited by admin on Wed Apr 02 11:01:10 GMT 2025

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