5-Phenylthiazole-2-carbaldehyde - CAS 862494-59-5
Catalog: |
BB037867 |
Product Name: |
5-Phenylthiazole-2-carbaldehyde |
CAS: |
862494-59-5 |
Synonyms: |
5-phenyl-2-thiazolecarboxaldehyde; 5-phenyl-1,3-thiazole-2-carbaldehyde |
IUPAC Name: | 5-phenyl-1,3-thiazole-2-carbaldehyde |
Description: | 5-Phenylthiazole-2-carbaldehyde (CAS# 862494-59-5) is a useful research chemical. |
Molecular Weight: | 189.23 |
Molecular Formula: | C10H7NOS |
Canonical SMILES: | C1=CC=C(C=C1)C2=CN=C(S2)C=O |
InChI: | InChI=1S/C10H7NOS/c12-7-10-11-6-9(13-10)8-4-2-1-3-5-8/h1-7H |
InChI Key: | KOEXIFWBDMYROV-UHFFFAOYSA-N |
LogP: | 2.62260 |
GHS Hazard Statement: | H302 (100%): 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 |
WO-2019138107-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 20180115 |
CN-111601810-A | Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase | 20180115 |
EP-3740493-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 20180115 |
US-2020405696-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 20180115 |
JP-2021510706-A | Indoleamine 2,3-dioxygenase and / or tryptophan 2,3-dioxygenase inhibitor | 20180115 |
Complexity: | 180 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.02483502 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.02483502 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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