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Details

Stereochemistry ACHIRAL
Molecular Formula C3H8S
Molecular Weight 76.161
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPROPYL MERCAPTAN

SMILES

CC(C)S

InChI

InChIKey=KJRCEJOSASVSRA-UHFFFAOYSA-N
InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3

HIDE SMILES / InChI

Molecular Formula C3H8S
Molecular Weight 76.161
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Analysis of the nucleophilic solvation effects in isopropyl chlorothioformate solvolysis.
2010-06-29
4,5-Bis(isopropyl-sulfan-yl)benzene-1,2-dicarbonitrile.
2010-03-13
The stromal chloroplast Deg7 protease participates in the repair of photosystem II after photoinhibition in Arabidopsis.
2010-03
Identification and functional characterization of monofunctional ent-copalyl diphosphate and ent-kaurene synthases in white spruce reveal different patterns for diterpene synthase evolution for primary and secondary metabolism in gymnosperms.
2010-03
Conformationally specific vacuum ultraviolet mass-analyzed threshold ionization spectroscopy of alkanethiols: structure and ionization of conformational isomers of ethanethiol, isopropanethiol, 1-propanethiol, tert-butanethiol, and 1-butanethiol.
2008-08-07
Free radical scavenging and antioxidative activity of melatonin derivatives.
2003-12
Synthesis and biodistribution of two novel 99mTc( SNN/S) "3+1" mixed ligand complexes as potential brain perfusion agents.
2003-08-28
Trace determination of volatile sulfur compounds by solid-phase microextraction and GC-MS.
2002-08
Investigation of the storage stability of selected volatile sulfur compounds in different sampling containers.
2001-05-11
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:18:59 GMT 2025
Edited
by admin
on Mon Mar 31 19:18:59 GMT 2025
Record UNII
E52LR62ETC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 3897
Preferred Name English
ISOPROPYL MERCAPTAN
HSDB  
Systematic Name English
NSC-87537
Code English
ISOPROPYL MERCAPTAN [HSDB]
Common Name English
2-PROPANETHIOL
Systematic Name English
ISOPROPANETHIOL
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 2-PROPANETHIOL
Created by admin on Mon Mar 31 19:18:59 GMT 2025 , Edited by admin on Mon Mar 31 19:18:59 GMT 2025
Code System Code Type Description
CAS
75-33-2
Created by admin on Mon Mar 31 19:18:59 GMT 2025 , Edited by admin on Mon Mar 31 19:18:59 GMT 2025
PRIMARY
HSDB
625
Created by admin on Mon Mar 31 19:18:59 GMT 2025 , Edited by admin on Mon Mar 31 19:18:59 GMT 2025
PRIMARY
EPA CompTox
DTXSID1025481
Created by admin on Mon Mar 31 19:18:59 GMT 2025 , Edited by admin on Mon Mar 31 19:18:59 GMT 2025
PRIMARY
ECHA (EC/EINECS)
200-861-4
Created by admin on Mon Mar 31 19:18:59 GMT 2025 , Edited by admin on Mon Mar 31 19:18:59 GMT 2025
PRIMARY
FDA UNII
E52LR62ETC
Created by admin on Mon Mar 31 19:18:59 GMT 2025 , Edited by admin on Mon Mar 31 19:18:59 GMT 2025
PRIMARY
CHEBI
8474
Created by admin on Mon Mar 31 19:18:59 GMT 2025 , Edited by admin on Mon Mar 31 19:18:59 GMT 2025
PRIMARY
NSC
87537
Created by admin on Mon Mar 31 19:18:59 GMT 2025 , Edited by admin on Mon Mar 31 19:18:59 GMT 2025
PRIMARY
JECFA MONOGRAPH
680
Created by admin on Mon Mar 31 19:18:59 GMT 2025 , Edited by admin on Mon Mar 31 19:18:59 GMT 2025
PRIMARY
PUBCHEM
6364
Created by admin on Mon Mar 31 19:18:59 GMT 2025 , Edited by admin on Mon Mar 31 19:18:59 GMT 2025
PRIMARY