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4430-51-7

4430-51-7 structural image
Product Name: 1,4-BUTANE DIISOTHIOCYANATE
Formula: C6H8N2S2
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H318:Serious eye damage/eye irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 172.3 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 172.01289061 g/mol
Monoisotopic Mass 172.01289061 g/mol
Topological Polar Surface Area 88.9 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 147
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

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