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22052-04-6

22052-04-6 structural image
Product Name: 1,3,5-TRIAZINANE-2-THIONE
Formula: C3H7N3S
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 117.18 g/mol
XLogP3 -0.5
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 117.03606841 g/mol
Monoisotopic Mass 117.03606841 g/mol
Topological Polar Surface Area 68.2 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 74.2
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