538-28-3
Product Name:
2-Benzyl-2-thiopseudourea hydrochloride
Formula:
C8H11ClN2S
Synonyms:
S-Benzylisothiourea hydrochloride;S-Benzylthiuronium chloride
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [Merck Index] White hygroscopic crystals; [Alfa Aesar MSDS] |
|---|---|
| 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 |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 202.71 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 202.0331472 g/mol |
| Monoisotopic Mass | 202.0331472 g/mol |
| Topological Polar Surface Area | 75.2 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 130 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |
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