4-(2-Amino-4-thiazolyl)phenol - CAS 57634-55-6
Catalog: |
BB029775 |
Product Name: |
4-(2-Amino-4-thiazolyl)phenol |
CAS: |
57634-55-6 |
Synonyms: |
4-(2-amino-4-thiazolyl)phenol; 4-(2-amino-1,3-thiazol-4-yl)phenol |
IUPAC Name: | 4-(2-amino-1,3-thiazol-4-yl)phenol |
Description: | 4-(2-Amino-4-thiazolyl)phenol (CAS# 57634-55-6) is a useful research chemical for the synthesis of other substituted thiazole scaffolds with anticonvulsants and anthelmintic activity against Indian adult earthworm Pheretima posthuma. |
Molecular Weight: | 192.24 |
Molecular Formula: | C9H8N2OS |
Canonical SMILES: | C1=CC(=CC=C1C2=CSC(=N2)N)O |
InChI: | InChI=1S/C9H8N2OS/c10-9-11-8(5-13-9)6-1-3-7(12)4-2-6/h1-5,12H,(H2,10,11) |
InChI Key: | QGSJYYIRAFRPIT-UHFFFAOYSA-N |
Boiling Point: | 417.8 °C at 760 mmHg |
Density: | 1.391 g/cm3 |
LogP: | 2.67910 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021071308-A1 | Selective surface finishing for corrosion inhibition via chemical vapor deposition | 20190909 |
CN-110172067-B | Thiazole medicine molecule with bactericidal activity and preparation method thereof | 20190411 |
US-2019192691-A1 | Regulated biocircuit systems | 20160411 |
US-2012010223-A1 | Isothiazolo-pyrimidinedione derivatives as trpai modulators | 20090323 |
US-2012178766-A1 | Furopyrimidinedione derivatives as trpai modulators | 20090323 |
PMID | Publication Date | Title | Journal |
19618939 | 20090813 | Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography | Journal of medicinal chemistry |
19527033 | 20090723 | One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening | Journal of medicinal chemistry |
19419876 | 20090601 | A library of novel allosteric inhibitors against fructose 1,6-bisphosphatase | Bioorganic & medicinal chemistry |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.03573406 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.03573406 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 87.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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