109-57-9
Product Name:
N-Allylthiourea
Formula:
C4H8N2S
Synonyms:
1-Allyl-2-thiourea;N-Allylthiourea;Thiosinamine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Allylthiourea is a white crystalline solid with a slight garlic odor. (NTP, 1992) |
|---|---|
| Melting Point | 158 to 172 °F (NTP, 1992) |
| Solubility | >17.4 [ug/mL] (The mean of the results at pH 7.4) |
| Density | 1.11 to 1.22 (NTP, 1992) |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral |
| 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. 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 | 116.19 g/mol |
|---|---|
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 116.04081944 g/mol |
| Monoisotopic Mass | 116.04081944 g/mol |
| Topological Polar Surface Area | 70.1 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 79.8 |
| 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
Allylthiourea is a white crystalline solid with a slight garlic odor. (NTP, 1992)