Category
Heterocyclic Organic Compound
Synonyms
(E)-4-Isothiocyanato-1-(methylsulfinyl)-1-butene
Molecular Formula
C6H9NOS2
InChI
InChI=1S/C6H9NOS2/c1-10(8)5-3-2-4-7-6-9/h3,5H,2,4H2,1H3/b5-3+
InChI Key
QKGJFQMGPDVOQE-HWKANZROSA-N
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
0
Isomeric SMILES
CS(=O)/C=C/CCN=C=S
Monoisotopic Mass
175.01255626
Topological Polar Surface Area
80.7 Ų
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