Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C8H7NO |
| Molecular Weight | 133.1473 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O=C=NCC1=CC=CC=C1
InChI
InChIKey=YDNLNVZZTACNJX-UHFFFAOYSA-N
InChI=1S/C8H7NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
| Molecular Formula | C8H7NO |
| Molecular Weight | 133.1473 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Efficient synthesis of 4,4'-bi-1H-imidazol-2-ones from 5-amino-alpha-imino-1H-imidazole-4-acetonitriles and isocyanates. | 2002 Aug 9 |
|
| Involvement of toxicity as an early event in urinary bladder carcinogenesis induced by phenethyl isothiocyanate, benzyl isothiocyanate, and analogues in F344 rats. | 2003 Jul-Aug |
|
| Structure-activity relationship of S-benzylisothiourea derivatives to induce spherical cells in Escherichia coli. | 2004 Nov |
|
| Chip-based on-line nanospray MS method enabling study of the kinetics of isocyanate derivatization reactions. | 2005 Nov 1 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 19:10:54 GMT 2023
by
admin
on
Fri Dec 15 19:10:54 GMT 2023
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| Record UNII |
8I2LI357GQ
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| Record Status |
Validated (UNII)
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| Record Version |
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