Tributyltin isocyanate

Inquiry

Molecular Formula:

[CH3(CH2)3]3SnNCO

Molecular Weight:

332.07

CAS Number:

681-99-2

Catalog Number:

681-99-2

Product Information

Molecular Formula:

[CH3(CH2)3]3SnNCO

Molecular Weight:

332.07

Description

Tributyltin isocyanate is a compound primarily used in the biomedical industry. It is utilized in the synthesis of potential antitumor or antiviral agents due to its ability to inhibit certain enzymes related to cancer or viral diseases. With its promising properties, Tributyltin isocyanate shows great potential in the development of new drugs for the treatment of various diseases.

Synonyms

tributyl(isocyanato)stannane; TRI-N-BUTYLISOCYANATOTIN; Stannane, (isocyanato)tributyl-; Tributylisocyanatostannane; Tributylstannyl isocyanate; Tri-n-butyltin isocyanate; Stannane, tributylisocyanato-; Tin, tributyl-, isothiocyanate

IUPAC Name

tributyl(isocyanato)stannane

Canonical SMILES

CCCC[Sn](CCCC)(CCCC)N=C=O

InChI

InChI=1S/3C4H9.CNO.Sn/c3*1-3-4-22-1-3/h3*1,3-4H2,2H3/q-1+1

InChI Key

YGUNDMHXMXDGII-UHFFFAOYSA-N

Boiling Point

297 °C (lit.)

Flash Point

230.0 °F - closed cup

Density

1.203 g/mL at 25 °C (lit.)

Storage

2-8°C

Refractive Index

n20/D 1.489 (lit.)

Safety Information

Hazards

H301 - H312 - H315 - H319 - H334 - H372 - H410

Precautionary Statement

P273 - P280 - P301 + P310 + P330 - P302 + P352 + P312 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

333.111467 g/mol

Monoisotopic Mass

333.111467 g/mol

Topological Polar Surface Area

29.4Å²

Heavy Atom Count

Formal Charge

Complexity

190

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
WO-2021004842-A1	Polymerizable compositions for preparing polyisocyanurate-based plastics having extended worklife	2019-07-08
CN-114040934-A	Polymerizable composition for producing polyisocyanurate-based plastics having extended pot life	2019-07-08
TW-202003448-A	Adducts of amine catalysts for producing isocyanurate polymers	2018-04-13
WO-2019197638-A1	Adducts of amine catalysts for producing isocyanurate polymers	2018-04-13
CN-112020525-A	Adducts of amine catalysts for making isocyanurate polymers	2018-04-13
EP-3774961-A1	Adducts of amine catalysts for producing isocyanurate polymers	2018-04-13
US-2021238341-A1	Adducts of amine catalysts for producing isocyanurate polymers	2018-04-13
CN-105801822-A	Liquid crystal polyester composition	2016-04-13
CN-105801823-A	Liquid crystal polyester composition	2016-04-13
CN-105860465-A	Liquid crystal polyester composition	2016-04-13

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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