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