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Details

Stereochemistry RACEMIC
Molecular Formula C9H12O2S
Molecular Weight 184.255
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENOL, 3,5-DIMETHYL-4-(METHYLSULFINYL)-

SMILES

C[S+]([O-])C1=C(C)C=C(O)C=C1C

InChI

InChIKey=ZHBBDQFXEDCQFI-UHFFFAOYSA-N
InChI=1S/C9H12O2S/c1-6-4-8(10)5-7(2)9(6)12(3)11/h4-5,10H,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
MESUROL PHENOL SULFOXIDE
Preferred Name English
PHENOL, 3,5-DIMETHYL-4-(METHYLSULFINYL)-
Systematic Name English
3,5-XYLENOL, 4-(METHYLSULFINYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
3029900
Created by admin on Mon Mar 31 22:54:09 GMT 2025 , Edited by admin on Mon Mar 31 22:54:09 GMT 2025
PRIMARY
FDA UNII
1Y8N1PC5Z0
Created by admin on Mon Mar 31 22:54:09 GMT 2025 , Edited by admin on Mon Mar 31 22:54:09 GMT 2025
PRIMARY
EPA CompTox
DTXSID20865052
Created by admin on Mon Mar 31 22:54:09 GMT 2025 , Edited by admin on Mon Mar 31 22:54:09 GMT 2025
PRIMARY
CAS
22454-92-8
Created by admin on Mon Mar 31 22:54:09 GMT 2025 , Edited by admin on Mon Mar 31 22:54:09 GMT 2025
PRIMARY
NIH
NCATS
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