2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile - CAS 4651-91-6
Catalog: |
BB026147 |
Product Name: |
2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile |
CAS: |
4651-91-6 |
Synonyms: |
2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile; 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
IUPAC Name: | 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
Description: | 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile (CAS# 4651-91-6) is a useful research chemical. It exhibits antibacterial, antifungal and antitubercular properties. A potential fungicides. |
Molecular Weight: | 178.25 |
Molecular Formula: | C9H10N2S |
Canonical SMILES: | C1CCC2=C(C1)C(=C(S2)N)C#N |
InChI: | InChI=1S/C9H10N2S/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-4,11H2 |
InChI Key: | ADHVMGAFAKSNOM-UHFFFAOYSA-N |
Boiling Point: | 398.1 °C / 760 mmHg |
Density: | 1.27 g/cm3 |
Appearance: | Solid |
Storage: | Keep in dark place. Inert atmosphere. Room temperature. |
MDL: | MFCD00128278 |
LogP: | 2.66198 |
GHS Hazard Statement: | H301 (14.29%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111875615-A | Methoxybenzyl urea compound and application thereof | 20200715 |
WO-2021212010-A2 | Small molecule antiviral drug treatment for human papillomavirus infections | 20200417 |
WO-2020263989-A1 | Jnk inhibitors as anticancer agents | 20190624 |
BR-102018072609-A2 | Microparticles of a 2-aminotiophen derivative (6cn) | 20181101 |
US-2019382365-A1 | Inhibitors of oplophorus luciferase-derived bioluminescent complexes | 20180601 |
PMID | Publication Date | Title | Journal |
22199685 | 20111201 | 2-Amino-4,5,6,7-tetra-hydro-benzo[b]thio-phene-3-carbonitrile | Acta crystallographica. Section E, Structure reports online |
22058913 | 20110901 | 2-[(4-Chloro-benzyl-idene)amino]-4,5,6,7-tetra-hydro-1-benzothio-phene-3-carbonitrile | Acta crystallographica. Section E, Structure reports online |
22064927 | 20110901 | 2-[(2-Chloro-benzyl-idene)amino]-4,5,6,7-tetra-hydro-1-benzothio-phene-3-carbonitrile | Acta crystallographica. Section E, Structure reports online |
22091175 | 20110801 | 2-[(1,3-Benzodioxol-5-yl-methyl-idene)amino]-4,5,6,7-tetra-hydro-1-benzothio-phene-3-carbonitrile | Acta crystallographica. Section E, Structure reports online |
21456079 | 20110601 | Benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidines: synthesis, characterization, antimicrobial activity, and incorporation into solid lipid nanoparticles | Archiv der Pharmazie |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.05646950 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.05646950 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 78 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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Related Functional Groups
Benzofuran/Benzothiophene
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