4-Thiazolecarboxylic acid - CAS 3973-08-8
Catalog: |
BB024109 |
Product Name: |
4-Thiazolecarboxylic acid |
CAS: |
3973-08-8 |
Synonyms: |
1,3-thiazole-4-carboxylic acid |
IUPAC Name: | 1,3-thiazole-4-carboxylic acid |
Description: | 4-Thiazolecarboxylic acid (CAS# 3973-08-8) is a compound useful in organic synthesis. |
Molecular Weight: | 129.14 |
Molecular Formula: | C4H3NO2S |
Canonical SMILES: | C1=C(N=CS1)C(=O)O |
InChI: | InChI=1S/C4H3NO2S/c6-4(7)3-1-8-2-5-3/h1-2H,(H,6,7) |
InChI Key: | HMVYYTRDXNKRBQ-UHFFFAOYSA-N |
Boiling Point: | 319.2 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.525 g/cm3 |
MDL: | MFCD00623589 |
LogP: | 0.84130 |
GHS Hazard Statement: | H315 (13.33%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113501783-A | Erianin heterocyclic derivative and preparation method and application thereof | 20210630 |
AU-2021101745-A4 | Control system and working method of vertical purple sweet potato-pear composite vinegar fermentation tank | 20210406 |
JP-2021066746-A | Conjugates of cytotoxic agents and cell-binding receptors | 20210204 |
CN-112094248-A | Substituted benzothiazole compound and application thereof | 20200917 |
CA-3108168-A1 | Conjugates of cell-binding molecules with cytotoxic agents | 20200205 |
PMID | Publication Date | Title | Journal |
22095625 | 20111216 | Mechanism selection for regiocontrol in base-assisted, palladium-catalysed direct C-H coupling with halides: first approach for oxazole- and thiazole-4-carboxylates | Chemistry (Weinheim an der Bergstrasse, Germany) |
11504640 | 20010801 | Design, synthesis, and evaluation of alpha-ketoheterocycles as class C beta-lactamase inhibitors | Bioorganic & medicinal chemistry |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.98844951 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.98844951 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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