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 |
|---|---|---|
| Chip-based on-line nanospray MS method enabling study of the kinetics of isocyanate derivatization reactions. | 2005-11-01 |
|
| Structure-activity relationship of S-benzylisothiourea derivatives to induce spherical cells in Escherichia coli. | 2004-11 |
|
| Involvement of toxicity as an early event in urinary bladder carcinogenesis induced by phenethyl isothiocyanate, benzyl isothiocyanate, and analogues in F344 rats. | 2003-07-10 |
|
| Efficient synthesis of 4,4'-bi-1H-imidazol-2-ones from 5-amino-alpha-imino-1H-imidazole-4-acetonitriles and isocyanates. | 2002-08-09 |
|
| Syntheses of puromycin from adenosine and 7-deazapuromycin from tubercidin, and biological comparisons of the 7-aza/deaza pair. | 2001-11-30 |
|
| Effect of chemopreventive agents on DNA adduction induced by the potent mammary carcinogen dibenzo[a,l]pyrene in the human breast cells MCF-7. | 2001-09-01 |
|
| Differential effects of naturally occurring isothiocyanates on the activities of cytochrome P450 2E1 and the mutant P450 2E1 T303A. | 2001-07-01 |
|
| Effects of benzyl isothiocyanate on rat and human cytochromes P450: identification of metabolites formed by P450 2B1. | 2001-01 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 19:34:46 GMT 2025
by
admin
on
Mon Mar 31 19:34:46 GMT 2025
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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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