ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate - CAS 76162-56-6
Catalog: |
BB035508 |
Product Name: |
ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate |
CAS: |
76162-56-6 |
Synonyms: |
3-methyl-1,2,4-thiadiazole-5-carboxylic acid ethyl ester; ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate |
IUPAC Name: | ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate |
Description: | ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate (CAS# 76162-56-6) is a useful research chemical. |
Molecular Weight: | 172.202 |
Molecular Formula: | C6H8N2O2S |
Canonical SMILES: | CCOC(=O)C1=NC(=NS1)C |
InChI: | InChI=1S/C6H8N2O2S/c1-3-10-6(9)5-7-4(2)8-11-5/h3H2,1-2H3 |
InChI Key: | ZYVYMUYJEAVYOC-UHFFFAOYSA-N |
LogP: | 1.02320 |
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-2020211798-A1 | Inhibitor containing bicyclic ring derivative, and preparation method and uses therefor | 20190416 |
CN-112272670-A | Bicyclic derivative-containing inhibitor, preparation method and application thereof | 20190416 |
CN-113302175-A | Bicyclic compounds | 20181109 |
KR-20210108367-A | Bicyclic Compounds | 20181109 |
JP-2010501533-A | Nitrogen-containing heterocyclic compounds useful as M3 receptor modulators | 20060821 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.03064868 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.03064868 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 80.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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