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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9NOS
Molecular Weight 179.239
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-ISOTHIOCYANATO-3,5-DIMETHYLPHENOL

SMILES

CC1=CC(O)=CC(C)=C1N=C=S

InChI

InChIKey=CEUCLBRTBJPLGR-UHFFFAOYSA-N
InChI=1S/C9H9NOS/c1-6-3-8(11)4-7(2)9(6)10-5-12/h3-4,11H,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H9NOS
Molecular Weight 179.239
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:32:26 GMT 2025
Edited
by admin
on Wed Apr 02 05:32:26 GMT 2025
Record UNII
LDV1DQ25VZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,5-DIMETHYL-4-ISOTHIOCYANATOPHENOL
Preferred Name English
4-ISOTHIOCYANATO-3,5-DIMETHYLPHENOL
Systematic Name English
PHENOL, 4-ISOTHIOCYANATO-3,5-DIMETHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
LDV1DQ25VZ
Created by admin on Wed Apr 02 05:32:26 GMT 2025 , Edited by admin on Wed Apr 02 05:32:26 GMT 2025
PRIMARY
CAS
1246818-00-7
Created by admin on Wed Apr 02 05:32:26 GMT 2025 , Edited by admin on Wed Apr 02 05:32:26 GMT 2025
PRIMARY
PUBCHEM
53434940
Created by admin on Wed Apr 02 05:32:26 GMT 2025 , Edited by admin on Wed Apr 02 05:32:26 GMT 2025
PRIMARY