N-Boc-3-aminothiophene - CAS 19228-91-2
Catalog: |
BB014863 |
Product Name: |
N-Boc-3-aminothiophene |
CAS: |
19228-91-2 |
Synonyms: |
tert-butyl N-thiophen-3-ylcarbamate |
IUPAC Name: | tert-butyl N-thiophen-3-ylcarbamate |
Description: | N-Boc-3-aminothiophene (CAS# 19228-91-2) is a useful research chemical. |
Molecular Weight: | 199.27 |
Molecular Formula: | C9H13NO2S |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CSC=C1 |
InChI: | InChI=1S/C9H13NO2S/c1-9(2,3)12-8(11)10-7-4-5-13-6-7/h4-6H,1-3H3,(H,10,11) |
InChI Key: | PRWYQCYSADTIBZ-UHFFFAOYSA-N |
Boiling Point: | 238.1 °C at 760 mmHg |
Density: | 1.186 g/cm3 |
LogP: | 3.16810 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-202003509-A | STING agonist compounds | 20180403 |
US-2019300513-A1 | Sting agonist compounds | 20180403 |
WO-2019195063-A1 | Aza-benzothiophene compounds as sting agonists | 20180403 |
WO-2019195124-A1 | Benzothiophenes and related compounds as sting agonists | 20180403 |
KR-20200139203-A | Benzothiophene and related compounds as STING agonists | 20180403 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.06669983 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.06669983 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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Related Functional Groups
Amines and Anilines
Thiophenes
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