3-(Aminomethyl)benzo[b]thiophene - CAS 40615-04-1
Catalog: |
BB024584 |
Product Name: |
3-(Aminomethyl)benzo[b]thiophene |
CAS: |
40615-04-1 |
Synonyms: |
1-benzothiophen-3-ylmethanamine; 1-benzothiophen-3-ylmethanamine |
IUPAC Name: | 1-benzothiophen-3-ylmethanamine |
Description: | 3-(Aminomethyl)benzo[b]thiophene (CAS# 40615-04-1) is a useful research chemical. |
Molecular Weight: | 163.24 |
Molecular Formula: | C9H9NS |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CS2)CN |
InChI: | InChI=1S/C9H9NS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5,10H2 |
InChI Key: | WHTPXNOFEHTZAD-UHFFFAOYSA-N |
Boiling Point: | 303.9 °C at 760 mmHg |
Density: | 1.227 g/cm3 |
LogP: | 3.06030 |
Publication Number | Title | Priority Date |
WO-2020114949-A1 | Heteroaromatic compounds as vanin inhibitors | 20181203 |
EP-3016951-B1 | Tricyclic pyrido-carboxamide derivatives as rock inhibitors | 20130702 |
KR-101162100-B1 | Novel pyrazinone derivatives having apoptosis inducing activity and pharmaceutical compositions comprising the same as active ingredients | 20100119 |
KR-20110085035-A | Novel pyrazinone derivatives having apoptosis inducing activity and pharmaceutical compositions comprising the same as active ingredients | 20100119 |
WO-2011090316-A2 | Novel pyrazinone derivatives having an apoptosis-inducing activity, and pharmaceutical compositions comprising same | 20100119 |
PMID | Publication Date | Title | Journal |
22019468 | 20111201 | Identification of novel CYP2A6 inhibitors by virtual screening | Bioorganic & medicinal chemistry |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.04557046 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.04557046 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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