N-Boc-3-aminothiophene-2-carboxaldehyde - CAS 368442-47-1
Catalog: |
BB023106 |
Product Name: |
N-Boc-3-aminothiophene-2-carboxaldehyde |
CAS: |
368442-47-1 |
Synonyms: |
tert-butyl N-(2-formylthiophen-3-yl)carbamate |
IUPAC Name: | tert-butyl N-(2-formylthiophen-3-yl)carbamate |
Description: | N-Boc-3-aminothiophene-2-carboxaldehyde (CAS# 368442-47-1) is a useful research chemical. |
Molecular Weight: | 227.28 |
Molecular Formula: | C10H13NO3S |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=C(SC=C1)C=O |
InChI: | InChI=1S/C10H13NO3S/c1-10(2,3)14-9(13)11-7-4-5-15-8(7)6-12/h4-6H,1-3H3,(H,11,13) |
InChI Key: | WFKLWNDDNOQFKO-UHFFFAOYSA-N |
LogP: | 2.98060 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P313, P362+P364, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3686198-A1 | mu-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE | 20170918 |
WO-2008022467-A1 | 2-substituted azain doles and 2 substituted thienopyrroles, their precursors and novel processes for the preparation thereof | 20060825 |
EP-1782811-A1 | Novel antimalaria agent containing heterocyclic compound | 20040809 |
JP-WO2006016548-A1 | Novel antimalarial agents containing heterocyclic compounds | 20040809 |
US-2009227799-A1 | Novel Antimalarial Agent Containing Heterocyclic Compound | 20040809 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.06161445 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.06161445 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 83.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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