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1,2-thiazol-3-one; thiocyanatomethyl thiocyanate

1,2-thiazol-3-one; thiocyanatomethyl thiocyanate

Systemtic Name:1,2-thiazol-3-one; thiocyanatomethyl thiocyanate
Openeye Name:isothiazol-3-one; thiocyanatomethyl thiocyanate
CAS Name:3-isothiazolone; thiocyanic acid thiocyanatomethyl ester
IUPAC Name:1,2-thiazol-3-one; thiocyanatomethyl thiocyanate
Traditional Name:4-isothiazolin-3-one; thiocyanic acid thiocyanatomethyl ester
Formula: C6H5N3OS3
MolecularWeight: 231.3184
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Descriptors Computed from Structure

Canonical SMILES:

C1=CSNC1=O.C(SC#N)SC#N


Isomeric SMILES

C1=CSNC1=O.C(SC#N)SC#N


InChI

InChI=1S/C3H2N2S2.C3H3NOS/c4-1-6-3-7-2-5;5-3-1-2-6-4-3/h3H2;1-2H,(H,4,5)


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