915707-72-1 Purity
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Specification
The molecular formula of s-Chloromethyl thiocarbamate is C2H4ClNOS.
The molecular weight of s-Chloromethyl thiocarbamate is 125.58 g/mol.
The IUPAC name of s-Chloromethyl thiocarbamate is S-(chloromethyl) carbamothioate.
The InChI of s-Chloromethyl thiocarbamate is InChI=1S/C2H4ClNOS/c3-1-6-2(4)5/h1H2,(H2,4,5).
The InChIKey of s-Chloromethyl thiocarbamate is SXFJZNGIYIFFAD-UHFFFAOYSA-N.
The canonical SMILES of s-Chloromethyl thiocarbamate is C(SC(=O)N)Cl.
The XLogP3-AA value of s-Chloromethyl thiocarbamate is 0.8.
s-Chloromethyl thiocarbamate has 1 hydrogen bond donor count.
s-Chloromethyl thiocarbamate has 2 hydrogen bond acceptor counts.
s-Chloromethyl thiocarbamate has 2 rotatable bond counts.