3-METHYL-2-THIENYLZINC BROMIDE

Inquiry

Molecular Formula:

C5H5BrSZn

Molecular Weight:

242.45

CAS Number:

312693-45-1

Catalog Number:

312693-45-1

Product Information

Molecular Formula:

C5H5BrSZn

Molecular Weight:

242.45

Description

3-Methyl-2-thienylzinc bromide can be used as a starting material for the synthesis of thiophene-containing natural products pyridoacridines.

Synonyms

3-METHYL-2-THIENYLZINC BROMIDE; 3-METHYL-2-THIENYLZINC BROMIDE, 0.5M SOL; 3-methyl-2-thienylzinc bromide solution

IUPAC Name

bromozinc(1+)3-methyl-2H-thiophen-2-ide

Canonical SMILES

CC1=[C-]SC=C1.[Zn+]Br

InChI

InChI=1S/C5H5S.BrH.Zn/c1-5-2-3-6-4-5;;/h2-3H,1H3;1H;/q-1;;+2/p-1

InChI Key

QOEYTZPVSXRHCY-UHFFFAOYSA-M

Boiling Point

65 °C

Flash Point

1.4 °F - closed cup

Purity

95%

Density

0.978

Appearance

Brown liquid

Storage

2-8°C

Safety Information

Hazards

H225 - H261 - H302 - H315 - H319 - H335 - H351

Precautionary Statement

P210 - P231 + P232 - P280 - P370 + P378 - P402 + P404 - P403 + P235

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

239.85868 g/mol

Monoisotopic Mass

239.85868 g/mol

Topological Polar Surface Area

25.3Å²

Heavy Atom Count

Formal Charge

Complexity

109

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
MX-2007011600-A	IMIDAZOPIRIDAZINE COMPOUNDS.	2005-03-21
AU-2004259734-A1	Tyrosine kinase inhibitors	2003-07-24
CA-2532400-A1	Tyrosine kinase inhibitors	2003-07-24
CN-100457728-C	Tyrosine kinase inhibitors	2003-07-24
CN-1826317-A	Tyrosine kinase inhibitors	2003-07-24
EP-1651599-A1	Tyrosine kinase inhibitors	2003-07-24
JP-2006528629-A	Tyrosine kinase inhibitor	2003-07-24
US-2006189577-A1	Tyrosine kinase inhibitors	2003-07-24
US-7504429-B2	Tyrosine kinase inhibitors	2003-07-24
WO-2005009957-A1	Tyrosine kinase inhibitors	2003-07-24

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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