Sodium 1-heptanesulfonate

• CAS: 22767-50-6
• Catalog Number: ACM22767506
• Category: Main Products
• Molecular Weight: 202.25
• Molecular Formula: C7H15O3SNa
• Synonyms: 1-Heptanesulfonic acid sodium salt
• IUPAC Name: sodium;heptane-1-sulfonate
• Canonical SMILES: CCCCCCCS(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C7H16O3S.Na/c1-2-3-4-5-6-7-11(8,9)10;/h2-7H2,1H3,(H,8,9,10);/q;+1/p-1
• InChI Key: REFMEZARFCPESH-UHFFFAOYSA-M
• Melting Point: >300 °C (lit.)
• Density: 1.017 g/cm³
• Solubility: Soluble in water (≥100 mg/mL)
• Complexity: 172
• Covalently-Bonded Unit Count: 2
• Defined Atom Stereocenter Count: 0
• EC Number: 245-210-5
• Exact Mass: 202.06395979
• Formal Charge: 0
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CCCCCCCS(=O)(=O)[O-].[Na+]
• MDL Number: MFCD00007543
• Monoisotopic Mass: 202.06395979
• Physical State: Crystalline powder
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 65.6 Ų

Custom Q&A

What is the molecular formula of Sodium 1-heptanesulfonate?

The molecular formula of Sodium 1-heptanesulfonate is C7H15NaO3S.

What is the molecular weight of Sodium 1-heptanesulfonate?

The molecular weight of Sodium 1-heptanesulfonate is 202.25 g/mol.

What is the IUPAC name of Sodium 1-heptanesulfonate?

The IUPAC name of Sodium 1-heptanesulfonate is sodium;heptane-1-sulfonate.

What is the InChI of Sodium 1-heptanesulfonate?

The InChI of Sodium 1-heptanesulfonate is InChI=1S/C7H16O3S.Na/c1-2-3-4-5-6-7-11(8,9)10;/h2-7H2,1H3,(H,8,9,10);/q;+1/p-1.

What is the InChIKey of Sodium 1-heptanesulfonate?

The InChIKey of Sodium 1-heptanesulfonate is REFMEZARFCPESH-UHFFFAOYSA-M.

What is the canonical SMILES of Sodium 1-heptanesulfonate?

The canonical SMILES of Sodium 1-heptanesulfonate is CCCCCCCS(=O)(=O)[O-].[Na+].

What is the CAS number of Sodium 1-heptanesulfonate?

The CAS number of Sodium 1-heptanesulfonate is 22767-50-6.

What is the European Community (EC) number of Sodium 1-heptanesulfonate?

The European Community (EC) number of Sodium 1-heptanesulfonate is 245-210-5.

What is the DSSTox Substance ID of Sodium 1-heptanesulfonate?

The DSSTox Substance ID of Sodium 1-heptanesulfonate is DTXSID0066826.

Is Sodium 1-heptanesulfonate a canonicalized compound?

Yes, Sodium 1-heptanesulfonate is a canonicalized compound.