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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7NO3S
Molecular Weight 197.211
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYLBENZENESULFONYL ISOCYANATE

SMILES

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

InChI

InChIKey=VLJQDHDVZJXNQL-UHFFFAOYSA-N
InChI=1S/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula C8H7NO3S
Molecular Weight 197.211
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
4-Methyl-N-[(2-oxo-1,3-thia-zolidin-3-yl)carbon-yl]benzene-sulfonamide.
2010-04-24
Selective synthesis of eight-membered cyclic ureas by the [6 + 2] cycloaddition reaction of 2-vinylazetidines and electron-deficient isocyanates.
2009-12-03
Simultaneous determination of diethylene glycol and propylene glycol in pharmaceutical products by HPLC after precolumn derivatization with p-toluenesulfonyl isocyanate.
2007-11
Isocyanate acting as a carbonyl precursor: pyridyl group-assisted formation of 4H-pyrido[1,2-a]pyrimidin-4-ones from ketimines and isocyanates.
2006-01-21
p-Toluenesulfonyl isocyanate as a novel derivatization reagent to enhance the electrospray ionization and its application in the determination of two stereo isomers of 3-hydroxyl-7-methyl-norethynodrel in plasma.
2005-01-25
Palladium-catalyzed electrophilic substitution of allyl chlorides and acetates via bis-allylpalladium intermediates.
2003-04-04
Palladium-catalyzed tandem bis-allylation of isocyanates.
2001-03-22
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:11:42 GMT 2025
Edited
by admin
on Mon Mar 31 21:11:42 GMT 2025
Record UNII
H9004FJX6V
Record Status Validated (UNII)
Record Version
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Name Type Language
ADDITIVE TI
Preferred Name English
4-METHYLBENZENESULFONYL ISOCYANATE
Systematic Name English
P-METHYLPHENYLSULFONYL ISOCYANATE
Common Name English
BENZENESULFONYL ISOCYANATE, 4-METHYL-
Systematic Name English
P-TOSYL ISOCYANATE
Common Name English
4-TOLUENESULFONYL ISOCYANATE
Systematic Name English
P-TOLUENESULFONYL ISOCYANATE
Common Name English
4-METHYLPHENYLSULFONYL ISOCYANATE
Systematic Name English
P-TOLUENESULFONIC ACID, ANHYDRIDE WITH ISOCYANIC ACID
Common Name English
ISOCYANIC ACID, ANHYDRIDE WITH P-TOLUENESULFONIC ACID
Systematic Name English
TOSYL ISOCYANATE
Systematic Name English
TOLUENESULFONYL ISOCYANATE
Systematic Name English
P-METHYLBENZENESULFONYL ISOCYANATE
Common Name English
PTSI
Common Name English
Code System Code Type Description
FDA UNII
H9004FJX6V
Created by admin on Mon Mar 31 21:11:42 GMT 2025 , Edited by admin on Mon Mar 31 21:11:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID1027558
Created by admin on Mon Mar 31 21:11:42 GMT 2025 , Edited by admin on Mon Mar 31 21:11:42 GMT 2025
PRIMARY
CAS
4083-64-1
Created by admin on Mon Mar 31 21:11:42 GMT 2025 , Edited by admin on Mon Mar 31 21:11:42 GMT 2025
PRIMARY
ECHA (EC/EINECS)
223-810-8
Created by admin on Mon Mar 31 21:11:42 GMT 2025 , Edited by admin on Mon Mar 31 21:11:42 GMT 2025
PRIMARY
PUBCHEM
77703
Created by admin on Mon Mar 31 21:11:42 GMT 2025 , Edited by admin on Mon Mar 31 21:11:42 GMT 2025
PRIMARY