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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7NOS
Molecular Weight 165.212
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-Methoxyphenyl isothiocyanate

SMILES

COC1=CC=C(C=C1)N=C=S

InChI

InChIKey=VRPQCVLBOZOYCG-UHFFFAOYSA-N
InChI=1S/C8H7NOS/c1-10-8-4-2-7(3-5-8)9-6-11/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula C8H7NOS
Molecular Weight 165.212
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 18:49:01 GMT 2025
Edited
by admin
on Tue Apr 01 18:49:01 GMT 2025
Record UNII
HJ7V98MU87
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-77713
Preferred Name English
4-Methoxyphenyl isothiocyanate
Systematic Name English
1-Isothiocyanato-4-methoxybenzene
Systematic Name English
Benzene, 1-isothiocyanato-4-methoxy-
Systematic Name English
4-Methoxyphenylisothiocyanate
Systematic Name English
Code System Code Type Description
NSC
77713
Created by admin on Tue Apr 01 18:49:01 GMT 2025 , Edited by admin on Tue Apr 01 18:49:01 GMT 2025
PRIMARY
ECHA (EC/EINECS)
218-921-3
Created by admin on Tue Apr 01 18:49:01 GMT 2025 , Edited by admin on Tue Apr 01 18:49:01 GMT 2025
PRIMARY
FDA UNII
HJ7V98MU87
Created by admin on Tue Apr 01 18:49:01 GMT 2025 , Edited by admin on Tue Apr 01 18:49:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID00177387
Created by admin on Tue Apr 01 18:49:01 GMT 2025 , Edited by admin on Tue Apr 01 18:49:01 GMT 2025
PRIMARY
PUBCHEM
75293
Created by admin on Tue Apr 01 18:49:01 GMT 2025 , Edited by admin on Tue Apr 01 18:49:01 GMT 2025
PRIMARY
CAS
2284-20-0
Created by admin on Tue Apr 01 18:49:01 GMT 2025 , Edited by admin on Tue Apr 01 18:49:01 GMT 2025
PRIMARY