CAS
98813-13-9 Purity
96%
98813-13-9 Purity
96%
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Specification
The molecular formula is C6H3ClN2S3.
It was created on July 19, 2005.
The IUPAC name is 3-chloro-5-thiophen-2-ylsulfanyl-1,2,4-thiadiazole.
The Canonical SMILES is C1=CSC(=C1)SC2=NC(=NS2)Cl.
The molecular weight is 234.8 g/mol.
It has 5 hydrogen bond acceptors.
The topological polar surface area is 108 Ų.
No, it does not have any defined atom stereocenters.
It has 2 rotatable bonds.
Yes, it is a canonicalized compound in PubChem.