Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C9H9NOS |
| Molecular Weight | 179.239 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC(CN=C=S)=CC=C1
InChI
InChIKey=SSSDJJXWAVRNCM-UHFFFAOYSA-N
InChI=1S/C9H9NOS/c1-11-9-4-2-3-8(5-9)6-10-7-12/h2-5H,6H2,1H3
| Molecular Formula | C9H9NOS |
| Molecular Weight | 179.239 |
| 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
Edited
Sat Dec 16 08:09:39 GMT 2023
by
admin
on
Sat Dec 16 08:09:39 GMT 2023
|
| Record UNII |
J711Q1ZGCA
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
J711Q1ZGCA
Created by
admin on Sat Dec 16 08:09:39 GMT 2023 , Edited by admin on Sat Dec 16 08:09:39 GMT 2023
|
PRIMARY | |||
|
DTXSID70226235
Created by
admin on Sat Dec 16 08:09:39 GMT 2023 , Edited by admin on Sat Dec 16 08:09:39 GMT 2023
|
PRIMARY | |||
|
126512
Created by
admin on Sat Dec 16 08:09:39 GMT 2023 , Edited by admin on Sat Dec 16 08:09:39 GMT 2023
|
PRIMARY | |||
|
75272-77-4
Created by
admin on Sat Dec 16 08:09:39 GMT 2023 , Edited by admin on Sat Dec 16 08:09:39 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> CONSTITUENT ALWAYS PRESENT |
The 1H NMR spectra and EIMS fragmentation patterns were
consistent with and m-methoxybenzylisothiocyanate.
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
PARENT -> METABOLITE |
occurs in cruciferous vegetables
|
