107819-90-9
Product Name:
1,3-DI-BOC-2-METHYLISOTHIOUREA
Formula:
C12H22N2O4S
Synonyms:
N,N′-Bis(tert-butoxycarbonyl)-S-methylisothiourea;N,N′-Di-Boc-S-methylisothiourea;1,3-Di-Boc-2-methylisothiourea
Inquiry
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 290.38 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 290.13002836 g/mol |
| Monoisotopic Mass | 290.13002836 g/mol |
| Topological Polar Surface Area | 102 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 367 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |