2-(Chloromethyl)-5-phenyl-1,3,4-thiadiazole
Catalog: |
BB069255 |
Product Name: |
2-(Chloromethyl)-5-phenyl-1,3,4-thiadiazole |
Synonyms: |
2-(Chloromethyl)-5-phenyl-1,3,4-thiadiazole; 2-Chloromethyl-5-phenyl-[1,3,4]thiadiazole |
IUPAC Name: | 2-(chloromethyl)-5-phenyl-1,3,4-thiadiazole |
Description: | 2-(Chloromethyl)-5-phenyl-1,3,4-thiadiazole is a useful research chemical compound used in the preparation of bis((oxadiazolylthiadiazolyl)methylthio)methylenemalononitriles. |
Molecular Weight: | 210.68 |
Molecular Formula: | C9H7N2SCl |
Canonical SMILES: | C1=CC=C(C=C1)C2=NN=C(S2)CCl |
InChI: | InChI=1S/C9H7ClN2S/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-5H,6H2 |
InChI Key: | ZCKLQRJGNGUAER-UHFFFAOYSA-N |
References: | Padmavathi, V., et al. Eur. J. Med. Chem. 46, 4, 1367-73, (2011). |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.0018471 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.0018471 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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