CAS
96838-56-1 Purity
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96838-56-1 Purity
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The molecular formula is C4H5ClN2S.
The molecular weight is 148.61 g/mol.
The IUPAC name is 4-chloro-3-methyl-1,2-thiazol-5-amine.
The Canonical SMILES is CC1=NSC(=C1Cl)N.
The InChIKey is XDMQUGBVBORFEY-UHFFFAOYSA-N.
The CAS number is 96841-04-2.
The XLogP3-AA value is 1.7.
There is 1 hydrogen bond donor count.
There are 3 hydrogen bond acceptor counts.
Yes, it is a canonicalized compound.