201611-92-9
Product Name:
4-CYANO-4-(THIOBENZOYLTHIO)PENTANOIC ACID
Formula:
C13H13NO2S2
Synonyms:
4-Cyano-4-(thiobenzoylthio)pentanoic acid
Inquiry
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H317:Sensitisation, Skin |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 279.4 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 279.03877100 g/mol |
| Monoisotopic Mass | 279.03877100 g/mol |
| Topological Polar Surface Area | 119 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 368 |
| 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 |