89631-74-3
Product Name:
4-(BOC-AMINOMETHYL)PHENYL ISOTHIOCYANATE
Formula:
C13H16N2O2S
Synonyms:
tert-Butyl N-(4-isothiocyanatophenylmethyl)carbamate;4-(N-tert-Butoxycarbonylaminomethyl)phenyl isothiocyanate;BAMPITC;N-Boc-4-isothiocyanatobenzylamine
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COMPUTED DESCRIPTORS
| Molecular Weight | 264.35 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 264.09324893 g/mol |
| Monoisotopic Mass | 264.09324893 g/mol |
| Topological Polar Surface Area | 82.8 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 324 |
| 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 |