CAS
912635-70-2 Purity
96%
912635-70-2 Purity
96%
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The molecular formula is C3H3ClN2OS.
The molecular weight is 150.59 g/mol.
The IUPAC name is (5-chloro-1,3,4-thiadiazol-2-yl)methanol.
The InChI is InChI=1S/C3H3ClN2OS/c4-3-6-5-2(1-7)8-3/h7H,1H2.
The InChIKey is KSOMHENBFNSUCP-UHFFFAOYSA-N.
The computed XLogP3-AA value is 0.5.
It has 1 hydrogen bond donor count.
It has 4 hydrogen bond acceptor counts.
It has 1 rotatable bond count.
Yes, it is a canonicalized compound.