Tetrabutylphosphoniumtoluene-4-sulfonate

Catalog Number	ACM116237979-2
CAS	116237-97-9
Structure
Synonyms	Tetrabutylphosphonium p-toluenesulfonate; p-Toluenesulfonic acid tetrabutylphosphonium salt
IUPAC Name	4-methylbenzenesulfonate;tetrabutylphosphanium
Molecular Weight	430.62
Molecular Formula	C23H43O3PS
InChI	FBYJOCBDWDVDOJ-UHFFFAOYSA-M
InChI Key	InChI=1S/C16H36P.C7H8O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-6-2-4-7(5-3-6)11(8,9)10/h5-16H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
Melting Point	54-59 °C
Purity	98%
Appearance	Crystalline
Isomeric SMILES	CCCC[P+](CCCC)(CCCC)CCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Q&A

What is the CAS number for Tetrabutylphosphoniumtoluene-4-sulfonate?

The CAS number for Tetrabutylphosphoniumtoluene-4-sulfonate is 116237-97-9.

What is the Canonical SMILES of Tetrabutylphosphoniumtoluene-4-sulfonate?

The Canonical SMILES of Tetrabutylphosphoniumtoluene-4-sulfonate is CCCC[P+](CCCC)(CCCC)CCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].

How many Covalently-Bonded Unit Count are there in Tetrabutylphosphoniumtoluene-4-sulfonate?

There are 2 Covalently-Bonded Unit Count in Tetrabutylphosphoniumtoluene-4-sulfonate.

What is the Molecular Weight of Tetrabutylphosphoniumtoluene-4-sulfonate?

The Molecular Weight of Tetrabutylphosphoniumtoluene-4-sulfonate is 430.6g/mol.

How many Heavy Atoms are present in Tetrabutylphosphoniumtoluene-4-sulfonate?

There are 28 Heavy Atoms present in Tetrabutylphosphoniumtoluene-4-sulfonate.

What is the IUPAC Name of Tetrabutylphosphoniumtoluene-4-sulfonate?

The IUPAC Name of Tetrabutylphosphoniumtoluene-4-sulfonate is 4-methylbenzenesulfonate;tetrabutylphosphanium.

What is the Monoisotopic Mass of Tetrabutylphosphoniumtoluene-4-sulfonate?

The Monoisotopic Mass of Tetrabutylphosphoniumtoluene-4-sulfonate is 430.26705340.

How many Hydrogen Bond Acceptor Counts are there in Tetrabutylphosphoniumtoluene-4-sulfonate?

There are 3 Hydrogen Bond Acceptor Counts in Tetrabutylphosphoniumtoluene-4-sulfonate.

What is the Topological Polar Surface Area of Tetrabutylphosphoniumtoluene-4-sulfonate?

The Topological Polar Surface Area of Tetrabutylphosphoniumtoluene-4-sulfonate is 65.6.

What is the exact InChIKey of Tetrabutylphosphoniumtoluene-4-sulfonate?

The exact InChIKey of Tetrabutylphosphoniumtoluene-4-sulfonate is FBYJOCBDWDVDOJ-UHFFFAOYSA-M.