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Details

Stereochemistry ACHIRAL
Molecular Formula C19H42N.C5H4NOS
Molecular Weight 410.7
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYRITHIONE PALMITYLTRIMETHYLAMMONIUM

SMILES

[O-][N+]1=CC=CC=C1[S-].CCCCCCCCCCCCCCCC[N+](C)(C)C

InChI

InChIKey=MZJKRLBKTDGAGD-UHFFFAOYSA-M
InChI=1S/C19H42N.C5H5NOS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;7-6-4-2-1-3-5(6)8/h5-19H2,1-4H3;1-4,8H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C19H42N
Molecular Weight 284.5435
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Molecular Formula C5H5NOS
Molecular Weight 127.164
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 Tue Apr 01 16:30:52 GMT 2025
Edited
by admin
on Tue Apr 01 16:30:52 GMT 2025
Record UNII
CZ1TU1S0XP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-HEXADECANAMINIUM, N,N,N-TRIMETHYL-, SALT WITH 2-PYRIDINETHIOL 1-OXIDE (1:1)
Preferred Name English
PYRITHIONE PALMITYLTRIMETHYLAMMONIUM
Common Name English
HEXADECYLTRIMETHYLAMMONIUM SALT WITH 2-PYRIDINETHIOL 1-OXIDE
Systematic Name English
HEXADECYLTRIMETHYLAMMONIUM 2-PYRIDYL SULFIDE, N-OXIDE
Systematic Name English
HEXADECYLTRIMETHYLAMMONIUM 2-PYRIDINETHIOL 1-OXIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
118796473
Created by admin on Tue Apr 01 16:30:52 GMT 2025 , Edited by admin on Tue Apr 01 16:30:52 GMT 2025
PRIMARY
FDA UNII
CZ1TU1S0XP
Created by admin on Tue Apr 01 16:30:52 GMT 2025 , Edited by admin on Tue Apr 01 16:30:52 GMT 2025
PRIMARY
CAS
101296-09-7
Created by admin on Tue Apr 01 16:30:52 GMT 2025 , Edited by admin on Tue Apr 01 16:30:52 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE