5-(propan-2-yl)-1,3,4-thiadiazole-2-carboxylic acid - CAS 1260672-43-2
Catalog: |
BB006342 |
Product Name: |
5-(propan-2-yl)-1,3,4-thiadiazole-2-carboxylic acid |
CAS: |
1260672-43-2 |
Synonyms: |
5-propan-2-yl-1,3,4-thiadiazole-2-carboxylic acid; 5-propan-2-yl-1,3,4-thiadiazole-2-carboxylic acid |
IUPAC Name: | 5-propan-2-yl-1,3,4-thiadiazole-2-carboxylic acid |
Description: | 5-(propan-2-yl)-1,3,4-thiadiazole-2-carboxylic acid (CAS# 1260672-43-2 ) is a useful research chemical. |
Molecular Weight: | 172.202 |
Molecular Formula: | C6H8N2O2S |
Canonical SMILES: | CC(C)C1=NN=C(S1)C(=O)O |
InChI: | InChI=1S/C6H8N2O2S/c1-3(2)4-7-8-5(11-4)6(9)10/h3H,1-2H3,(H,9,10) |
InChI Key: | LZMOOXADHDTZGF-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.35970 |
Publication Number | Title | Priority Date |
EP-0726263-A2 | Herbicidal (1,3,4)oxadiazoles and thiadiazoles | 19950208 |
US-5591695-A | Herbicidal [1,3,4]oxadiazoles and thiadiazoles | 19950208 |
Complexity: | 163 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.03064868 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 91.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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