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51087-03-7

51087-03-7 structural image
Product Name: THIONICOTINIC ACID
Formula: C6H5NOS
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
Precautionary Statement Codes P270:Do not eat, drink or smoke when using this product.
P330:Rinse mouth.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P405:Store locked up.
P403+P233:Store in a well-ventilated place. Keep container tightly closed.

COMPUTED DESCRIPTORS

Molecular Weight 139.18 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 139.00918496 g/mol
Monoisotopic Mass 139.00918496 g/mol
Topological Polar Surface Area 31 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 116
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