4-Hydroxybenzyl isothiocyanate

4-Hydroxybenzyl isothiocyanate
Identifiers
CAS Number	2086-86-4 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:178135;
ChEMBL	ChEMBL3593946;
ChemSpider	141134;
PubChem CID	160611;
UNII	318HJ2034L;
CompTox Dashboard (EPA)	DTXSID20174974 ;
	InChI InChI=1S/C8H7NOS/c10-8-3-1-7(2-4-8)5-9-6-11/h1-4,10H,5H2 Key: ATKWJXUJUNLTFU-UHFFFAOYSA-N;
	SMILES C1=CC(=CC=C1CN=C=S)O;
Properties
Chemical formula	C8H7NOS
Molar mass	165.21 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

4-Hydroxybenzyl isothiocyanate is a naturally occurring isothiocyanate. It is formed as a degradation product of sinalbin from white mustard and contributes to the pungent taste of mustard seeds.

Identifiers

CAS Number	2086-86-4^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:178135
ChEMBL	ChEMBL3593946
ChemSpider	141134
PubChem CID	160611
UNII	318HJ2034L
CompTox Dashboard (EPA)	DTXSID20174974
InChI InChI=1S/C8H7NOS/c10-8-3-1-7(2-4-8)5-9-6-11/h1-4,10H,5H2 Key: ATKWJXUJUNLTFU-UHFFFAOYSA-N
SMILES C1=CC(=CC=C1CN=C=S)O
Properties
Chemical formula	C₈H₇NOS
Molar mass	165.21 g·mol⁻¹
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references