Isopropyl tosylate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H14O3S
Molecular Weight	214.281
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Isopropyl tosylate

Structure Search

SMILES

CC(C)OS(=O)(=O)C1=CC=C(C)C=C1

InChI

InChIKey=SDQCGKJCBWXRMK-UHFFFAOYSA-N

InChI=1S/C10H14O3S/c1-8(2)13-14(11,12)10-6-4-9(3)5-7-10/h4-8H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C10H14O3S
Molecular Weight	214.281
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 `Mon Mar 31 22:13:35 GMT 2025` Edited by `admin` on `Mon Mar 31 22:13:35 GMT 2025`
Record UNII	14TSY160FA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOPROPYL P-TOLUENESULFONATE

Preferred Name

English

Isopropyl tosylate

Systematic Name

English

ISOPROPYL TOLUENE-4-SULPHONATE

Systematic Name

English

ISO-PROPYL P-TOLUENESULFONATE [USP-RS]

Common Name

English

BENZENESULFONIC ACID, 4-METHYL-, 1-METHYLETHYL ESTER

Systematic Name

English

2-PROPYL TOSYLATE

Systematic Name

English

ISOPROPYL TOLUENE-4-SULFONATE

Systematic Name

English

P-TOLUENESULFONIC ACID, ISOPROPYL ESTER

Common Name

English

Code System Code Type Description

FDA UNII

14TSY160FA

Created by admin on Mon Mar 31 22:13:35 GMT 2025 , Edited by admin on Mon Mar 31 22:13:35 GMT 2025

PRIMARY

PUBCHEM

598985

Created by admin on Mon Mar 31 22:13:35 GMT 2025 , Edited by admin on Mon Mar 31 22:13:35 GMT 2025

PRIMARY

EPA CompTox

DTXSID80945748

Created by admin on Mon Mar 31 22:13:35 GMT 2025 , Edited by admin on Mon Mar 31 22:13:35 GMT 2025

PRIMARY

RS_ITEM_NUM

1350625

Created by admin on Mon Mar 31 22:13:35 GMT 2025 , Edited by admin on Mon Mar 31 22:13:35 GMT 2025

PRIMARY

CAS

2307-69-9

Created by admin on Mon Mar 31 22:13:35 GMT 2025 , Edited by admin on Mon Mar 31 22:13:35 GMT 2025

PRIMARY

ECHA (EC/EINECS)

218-989-4

Created by admin on Mon Mar 31 22:13:35 GMT 2025 , Edited by admin on Mon Mar 31 22:13:35 GMT 2025

PRIMARY

Related Record Type Details


					W017G7IF4S

PARENT -> IMPURITY

Comments:

By product of P-Toluene sulfonyl chloride, which was used in starting material-1 (RM-1879)

Amount: