4311-88-0
Product Name:
Necrostatin-1
Formula:
C13H13N3OS
Synonyms:
5-(1H-Indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidazolidinone;5-(Indol-3-ylmethyl)-3-methyl-2-thio-Hydantoin;MTH-DL-Tryptophan;Necrostatin-1 - CAS 4311-88-0 - Calbiochem
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H317:Sensitisation, Skin |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 259.33 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 259.07793322 g/mol |
| Monoisotopic Mass | 259.07793322 g/mol |
| Topological Polar Surface Area | 80.2 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 373 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylidene-4-imidazolidinone is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.