Propyl p-toluenesulfonate structure

Propyl p-toluenesulfonate

propyl 4-methylbenzenesulfonate

CAS: 599-91-7
Molecular Formula C10H14O3S
Molecular Weight 214.28 g/mol
LogP 2.3
Topological Polar Surface Area 51.8 A2
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
Rotatable Bonds 4
Exact Mass 214.06636
Heavy Atoms 14
Complexity 245.0

Chemical Identifiers

CAS Number 599-91-7
SMILES CCCOS(=O)(=O)C1=CC=C(C=C1)C
InChIKey JTTWNTXHFYNETH-UHFFFAOYSA-N

📖 Product Overview

Propyl p-toluenesulfonate (CAS: 599-91-7) is a chemical compound with molecular formula C10H14O3S and molecular weight 214.28 g/mol. Its IUPAC systematic name is propyl 4-methylbenzenesulfonate. LogP 2.3 Topological Polar Surface Area 51.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 4 Exact Mass 214.06636 Heavy Atoms 14 Complexity 245.0 InChI Key: JTTWNTXHFYNETH-UHFFFAOYSA-N. SMILES: CCCOS(=O)(=O)C1=CC=C(C=C1)C.

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