2-Cyano-6-hydroxybenzothiazole - CAS 939-69-5
Catalog: |
BB041141 |
Product Name: |
2-Cyano-6-hydroxybenzothiazole |
CAS: |
939-69-5 |
Synonyms: |
6-Hydroxybenzothiazole-2-carbonitrile; 6-hydroxy-2-cyano-benzothiazole |
IUPAC Name: | 6-hydroxy-1,3-benzothiazole-2-carbonitrile |
Description: | 2-Cyano-6-hydroxybenzothiazole is a heterocyclic building block for proteomics research. |
Molecular Weight: | 176.20 |
Molecular Formula: | C8H4N2OS |
Canonical SMILES: | C1=CC2=C(C=C1O)SC(=N2)C#N |
InChI: | InChI=1S/C8H4N2OS/c9-4-8-10-6-2-1-5(11)3-7(6)12-8/h1-3,11H |
InChI Key: | SQAVNBZDECKYOT-UHFFFAOYSA-N |
Boiling Point: | 374.7±34.0 °C (Predicted) |
Melting Point: | 211-213 °C |
Purity: | ≥ 95 % |
Density: | 1.53±0.1 g/cm3 (Predicted) |
Appearance: | Pale yellow to yellow powder or crystals |
Storage: | 2-8 °C |
MDL: | MFCD00296905 |
LogP: | 1.87358 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112255208-A | Compound for detecting tyrosinase and application thereof | 20201009 |
CN-111973742-A | Nanometer probe capable of visually guiding photodynamic therapy and preparation method and application thereof | 20200828 |
CN-111875628-A | Fluorescent probe with aggregation-induced emission characteristic, preparation method and application | 20200814 |
WO-2020214889-A1 | Delivery and retention of active agents within the skin | 20190419 |
CN-109293653-A | A kind of bioluminescent probe and its preparation method and application detecting selenocystein in organism | 20181107 |
PMID | Publication Date | Title | Journal |
19748476 | 20100115 | Applications of luciferin biosynthesis: Bioluminescence assays for l-cysteine and luciferase | Analytical biochemistry |
11457857 | 20010928 | Oxyluciferin, a luminescence product of firefly luciferase, is enzymatically regenerated into luciferin | The Journal of biological chemistry |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.00443393 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.00443393 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 85.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Oxazole/Thiazole
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS