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142826-71-9

142826-71-9 structural image
Product Name: 5-[(2-CHLOROETHYL)THIO]-1,3,4-THIADIAZOLE-2-THIOL
Formula: C4H5ClN2S3
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COMPUTED DESCRIPTORS

Molecular Weight 212.7 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 211.9303394 g/mol
Monoisotopic Mass 211.9303394 g/mol
Topological Polar Surface Area 107 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 170
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes