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Details

Stereochemistry ACHIRAL
Molecular Formula C8H15NOS2
Molecular Weight 205.341
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of HESPERIN

SMILES

CS(=O)CCCCCCN=C=S

InChI

InChIKey=XQZVZULJKVALRI-UHFFFAOYSA-N
InChI=1S/C8H15NOS2/c1-12(10)7-5-3-2-4-6-9-8-11/h2-7H2,1H3

HIDE SMILES / InChI

Molecular Formula C8H15NOS2
Molecular Weight 205.341
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 18:05:15 GMT 2023
Edited
by admin
on Sat Dec 16 18:05:15 GMT 2023
Record UNII
8RUP6Q3JBB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HESPERIN
Common Name English
HEXANE, 1-ISOTHIOCYANATO-6-(METHYLSULFINYL)-
Systematic Name English
6-(METHYLSULFINYL)HEXYL ISOTHIOCYANATE
Systematic Name English
1-ISOTHIOCYANATO-6-(METHYLSULFINYL)HEXANE
Systematic Name English
ISOTHIOCYANIC ACID, 6-(METHYLSULFINYL)HEXYL ESTER
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00431173
Created by admin on Sat Dec 16 18:05:15 GMT 2023 , Edited by admin on Sat Dec 16 18:05:15 GMT 2023
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WIKIPEDIA
6-(Methylsulfinyl)hexyl isothiocyanate
Created by admin on Sat Dec 16 18:05:15 GMT 2023 , Edited by admin on Sat Dec 16 18:05:15 GMT 2023
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CAS
4430-35-7
Created by admin on Sat Dec 16 18:05:15 GMT 2023 , Edited by admin on Sat Dec 16 18:05:15 GMT 2023
PRIMARY
PUBCHEM
9815648
Created by admin on Sat Dec 16 18:05:15 GMT 2023 , Edited by admin on Sat Dec 16 18:05:15 GMT 2023
PRIMARY
FDA UNII
8RUP6Q3JBB
Created by admin on Sat Dec 16 18:05:15 GMT 2023 , Edited by admin on Sat Dec 16 18:05:15 GMT 2023
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