79-19-6
Product Name:
thiosemicarbazide
Formula:
CH5N3S
Synonyms:
Thiocarbamoyl hydrazide;Thiosemicarbazide;TSC;TSZ
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | THIOSEMICARBAZIDE is a white crystalline powder and is odorless. This material is used as a reagent for ketones and certain metals, for photography and as a rodenticide. It is also effective for control of bacterial leaf blight of rice. Not a registered pesticide in the U.S. It is a chemical intermediate for herbicides and a reagent for detection of metals. (EPA, 1998) |
|---|---|
| Color/Form | White crystalline powder |
| Odor | Odorless |
| Melting Point | 356 to 363 °F (EPA, 1998) |
| Solubility | In water, 1./0X10+4 mg/L at 20 °C |
| Vapor Pressure | 0.33 [mmHg] |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition it emits very toxic fumes of NOx and SOx. |
| Chemical Classes | Nitrogen Compounds -> Thiourea Compounds |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H300:Acute toxicity,oral H412:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P405:Store locked up. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 91.14 g/mol |
|---|---|
| XLogP3 | -1.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 91.02041835 g/mol |
| Monoisotopic Mass | 91.02041835 g/mol |
| Topological Polar Surface Area | 96.2 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 42.2 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Thiosemicarbazide is a pharmaceutical intermediate ingredient that is an effective intermediate in the synthesis of drugs and biologically active substances. The imine bond (-N=CH-) in this compound is very useful in organic synthesis, especially in the preparation of heterocyclic and unnatural β-amino acids.