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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7NS
Molecular Weight 149.213
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-TOLYL ISOTHIOCYANATE

SMILES

CC1=CC=CC=C1N=C=S

InChI

InChIKey=JYKYYPPZLPVIBY-UHFFFAOYSA-N
InChI=1S/C8H7NS/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula C8H7NS
Molecular Weight 149.213
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 Tue Apr 01 19:15:23 GMT 2025
Edited
by admin
on Tue Apr 01 19:15:23 GMT 2025
Record UNII
U0ST94Z07Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-TOLYL ISOTHIOCYANATE
Systematic Name English
NSC-220230
Preferred Name English
O-METHYLPHENYL ISOTHIOCYANATE
Systematic Name English
1-ISOTHIOCYANATO-2-METHYLBENZENE
Systematic Name English
2-METHYLPHENYL ISOTHIOCYANATE
Systematic Name English
ISOTHIOCYANIC ACID, O-TOLYL ESTER
Systematic Name English
BENZENE, 1-ISOTHIOCYANATO-2-METHYL-
Systematic Name English
O-TOLYL ISOTHIOCYANATE
Systematic Name English
Code System Code Type Description
CAS
614-69-7
Created by admin on Tue Apr 01 19:15:23 GMT 2025 , Edited by admin on Tue Apr 01 19:15:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID60210325
Created by admin on Tue Apr 01 19:15:23 GMT 2025 , Edited by admin on Tue Apr 01 19:15:23 GMT 2025
PRIMARY
ECHA (EC/EINECS)
210-390-6
Created by admin on Tue Apr 01 19:15:23 GMT 2025 , Edited by admin on Tue Apr 01 19:15:23 GMT 2025
PRIMARY
FDA UNII
U0ST94Z07Y
Created by admin on Tue Apr 01 19:15:23 GMT 2025 , Edited by admin on Tue Apr 01 19:15:23 GMT 2025
PRIMARY
PUBCHEM
69195
Created by admin on Tue Apr 01 19:15:23 GMT 2025 , Edited by admin on Tue Apr 01 19:15:23 GMT 2025
PRIMARY
NSC
220230
Created by admin on Tue Apr 01 19:15:23 GMT 2025 , Edited by admin on Tue Apr 01 19:15:23 GMT 2025
PRIMARY