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175135-68-9

175135-68-9 structural image
Product Name: 2-[(5-AMINO-1,3,4-THIADIAZOL-2-YL)THIO]-5-NITROBENZONITRILE
Formula: C9H5N5O2S2
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 279.3 g/mol
XLogP3 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 2
Exact Mass 278.98846677 g/mol
Monoisotopic Mass 278.98846677 g/mol
Topological Polar Surface Area 175 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 368
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