2-(2-Hydroxyphenyl)benzothiazole - CAS 3411-95-8
Catalog: |
BB021970 |
Product Name: |
2-(2-Hydroxyphenyl)benzothiazole |
CAS: |
3411-95-8 |
Synonyms: |
2-(1,3-benzothiazol-2-yl)phenol |
IUPAC Name: | 2-(1,3-benzothiazol-2-yl)phenol |
Description: | 2-(2-Hydroxyphenyl)benzothiazole (CAS# 3411-95-8) is a useful research chemical. |
Molecular Weight: | 227.28 |
Molecular Formula: | C13H9NOS |
Canonical SMILES: | C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)O |
InChI: | InChI=1S/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H |
InChI Key: | MVVGSPCXHRFDDR-UHFFFAOYSA-N |
Boiling Point: | 391.8 °C at 760 mmHg |
Density: | 1.365 g/cm3 |
LogP: | 3.66890 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
22914845 | 20121009 | New excited state intramolecular proton transfer (ESIPT) dyes based on naphthalimide and observation of long-lived triplet excited states | Chemical communications (Cambridge, England) |
22782842 | 20120806 | Dramatic substituent effects on the photoluminescence of boron complexes of 2-(benzothiazol-2-yl)phenols | Chemistry (Weinheim an der Bergstrasse, Germany) |
22742957 | 20120720 | Accessing the long-lived triplet excited states in bodipy-conjugated 2-(2-hydroxyphenyl) benzothiazole/benzoxazoles and applications as organic triplet photosensitizers for photooxidations | The Journal of organic chemistry |
22495201 | 20120707 | The effect of hydrogen bonding on the excited-state proton transfer in 2-(2'-hydroxyphenyl)benzothiazole: a TDDFT molecular dynamics study | Physical chemistry chemical physics : PCCP |
22524301 | 20120518 | Base-induced chemiluminescent decomposition of bicyclic dioxetanes bearing a (benzothiazol-2-yl)-3-hydroxyphenyl group: a radiationless pathway leading to marked decline of chemiluminescence efficiency | The Journal of organic chemistry |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.04048508 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.04048508 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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Oxazole/Thiazole
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