Thiazole-4-propanoic Acid - CAS 933735-27-4
Catalog: |
BB040881 |
Product Name: |
Thiazole-4-propanoic Acid |
CAS: |
933735-27-4 |
Synonyms: |
3-(4-thiazolyl)propanoic acid; 3-(1,3-thiazol-4-yl)propanoic acid |
IUPAC Name: | 3-(1,3-thiazol-4-yl)propanoic acid |
Description: | Thiazole-4-propanoic Acid (CAS# 933735-27-4) is a useful research chemical. |
Molecular Weight: | 157.19 |
Molecular Formula: | C6H7NO2S |
Canonical SMILES: | C1=C(N=CS1)CCC(=O)O |
InChI: | InChI=1S/C6H7NO2S/c8-6(9)2-1-5-3-10-4-7-5/h3-4H,1-2H2,(H,8,9) |
InChI Key: | FKMVNXSTIGKBCM-UHFFFAOYSA-N |
LogP: | 1.16030 |
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 |
WO-2021132524-A1 | Epoxy azepan derivative | 20191225 |
WO-2020024997-A1 | Preparation and application of class of n-containing heterocyclic compounds having immunoregulatory function | 20180801 |
JP-2016539079-A | Selectively substituted quinoline compounds | 20131014 |
JP-6483666-B2 | Selectively substituted quinoline compounds | 20131014 |
JP-2015518904-A | Macrocyclic inhibitors of flaviviridae viruses | 20120608 |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.01974964 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.01974964 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 78.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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