alumane;phenylmethanesulfonic acid

C7H11AlO3S — CID 174435213

IUPACalumane;phenylmethanesulfonic acid
SMILESO=S(=O)(O)Cc1ccccc1.[AlH3]
InChIInChI=1S/C7H8O3S.Al.3H/c8-11(9,10)6-7-4-2-1-3-5-7;;;;/h1-5H,6H2,(H,8,9,10);;;;
InChIKeyZGNWDGKZFHOHKZ-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.11
Rot. Bonds2

About alumane;phenylmethanesulfonic acid

alumane;phenylmethanesulfonic acid (PubChem CID 174435213) has the molecular formula C7H11AlO3S and a molecular weight of 202.21 g/mol. Its IUPAC name is alumane;phenylmethanesulfonic acid.

Molecular Properties

Compound Namealumane;phenylmethanesulfonic acid
PubChem CID174435213
Molecular FormulaC7H11AlO3S
Molecular Weight202.21 g/mol
Exact Mass202.02
IUPAC Namealumane;phenylmethanesulfonic acid
SMILESO=S(=O)(O)Cc1ccccc1.[AlH3]
InChIInChI=1S/C7H8O3S.Al.3H/c8-11(9,10)6-7-4-2-1-3-5-7;;;;/h1-5H,6H2,(H,8,9,10);;;;
InChIKeyZGNWDGKZFHOHKZ-UHFFFAOYSA-N
XLogP-0.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of alumane;phenylmethanesulfonic acid?
The IUPAC name of alumane;phenylmethanesulfonic acid (CID 174435213) is alumane;phenylmethanesulfonic acid.
What is the SMILES notation for alumane;phenylmethanesulfonic acid?
The canonical SMILES for alumane;phenylmethanesulfonic acid is O=S(=O)(O)Cc1ccccc1.[AlH3].
What is the InChIKey of alumane;phenylmethanesulfonic acid?
The InChIKey is ZGNWDGKZFHOHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S.Al.3H/c8-11(9,10)6-7-4-2-1-3-5-7;;;;/h1-5H,6H2,(H,8,9,10);;;;.
What are the key properties of alumane;phenylmethanesulfonic acid?
alumane;phenylmethanesulfonic acid has a molecular weight of 202.21 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;phenylmethanesulfonic acid is sourced from PubChem (CID 174435213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).