U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 P-HYDROXYBENZYL ISOTHIOCYANATE

SMILES

OC1=CC=C(CN=C=S)C=C1

InChI

InChIKey=ATKWJXUJUNLTFU-UHFFFAOYSA-N
InChI=1S/C8H7NOS/c10-8-3-1-7(2-4-8)5-9-6-11/h1-4,10H,5H2

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 Sat Dec 16 06:48:51 GMT 2023
Edited
by admin
on Sat Dec 16 06:48:51 GMT 2023
Record UNII
318HJ2034L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
P-HYDROXYBENZYL ISOTHIOCYANATE
Common Name English
HYDROXYBENZYL ISOTHIOCYANATE, P-
Common Name English
PHENOL, 4-(ISOTHIOCYANATOMETHYL)-
Systematic Name English
4-HYDROXYBENZYL ISOTHIOCYANATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20174974
Created by admin on Sat Dec 16 06:48:51 GMT 2023 , Edited by admin on Sat Dec 16 06:48:51 GMT 2023
PRIMARY
FDA UNII
318HJ2034L
Created by admin on Sat Dec 16 06:48:51 GMT 2023 , Edited by admin on Sat Dec 16 06:48:51 GMT 2023
PRIMARY
CAS
2086-86-4
Created by admin on Sat Dec 16 06:48:51 GMT 2023 , Edited by admin on Sat Dec 16 06:48:51 GMT 2023
PRIMARY
PUBCHEM
160611
Created by admin on Sat Dec 16 06:48:51 GMT 2023 , Edited by admin on Sat Dec 16 06:48:51 GMT 2023
PRIMARY