(E)-3-(2-Thiazolyl)acrylic Acid - CAS 144163-52-0
Catalog: |
BB009732 |
Product Name: |
(E)-3-(2-Thiazolyl)acrylic Acid |
CAS: |
144163-52-0 |
Synonyms: |
(E)-3-(2-thiazolyl)-2-propenoic acid; (E)-3-(1,3-thiazol-2-yl)prop-2-enoic acid |
IUPAC Name: | (E)-3-(1,3-thiazol-2-yl)prop-2-enoic acid |
Description: | (E)-3-(2-Thiazolyl)acrylic Acid (CAS# 144163-52-0) is a useful synthetic intermediate. It is used as an intermediate for HIV-1 protease inhibitor. |
Molecular Weight: | 155.17 |
Molecular Formula: | C6H5NO2S |
Canonical SMILES: | C1=CSC(=N1)C=CC(=O)O |
InChI: | InChI=1S/C6H5NO2S/c8-6(9)2-1-5-7-3-4-10-5/h1-4H,(H,8,9)/b2-1+ |
InChI Key: | PIWFCOHMNRSNNY-OWOJBTEDSA-N |
MDL: | MFCD06205421 |
LogP: | 1.24090 |
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 |
US-2021323942-A1 | Heterocyclic compounds for modulating nr2f6 | 20200225 |
WO-2021170658-A1 | Heterocyclic compounds for modulating nr2f6 | 20200225 |
WO-2020085234-A1 | Morphinan derivative | 20181022 |
EP-3154989-A1 | Beta-lactamase inhibitors | 20140611 |
US-2016264598-A1 | Beta-lactamase inhibitors | 20140611 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 155.00409958 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.00409958 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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