propan-1-ol;sulfuric acid

C3H10O5S — CID 18757021

IUPACpropan-1-ol;sulfuric acid
SMILESCCCO.O=S(=O)(O)O
InChIInChI=1S/C3H8O.H2O4S/c1-2-3-4;1-5(2,3)4/h4H,2-3H2,1H3;(H2,1,2,3,4)
InChIKeyCHOCRVHTVJREPS-UHFFFAOYSA-N
MW158.17 g/mol
LogP-0.26
Rot. Bonds1

About propan-1-ol;sulfuric acid

propan-1-ol;sulfuric acid (PubChem CID 18757021) has the molecular formula C3H10O5S and a molecular weight of 158.17 g/mol. Its IUPAC name is propan-1-ol;sulfuric acid.

Molecular Properties

Compound Namepropan-1-ol;sulfuric acid
PubChem CID18757021
Molecular FormulaC3H10O5S
Molecular Weight158.17 g/mol
Exact Mass158.02
IUPAC Namepropan-1-ol;sulfuric acid
SMILESCCCO.O=S(=O)(O)O
InChIInChI=1S/C3H8O.H2O4S/c1-2-3-4;1-5(2,3)4/h4H,2-3H2,1H3;(H2,1,2,3,4)
InChIKeyCHOCRVHTVJREPS-UHFFFAOYSA-N
XLogP-0.26
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 propan-1-ol;sulfuric acid?
The IUPAC name of propan-1-ol;sulfuric acid (CID 18757021) is propan-1-ol;sulfuric acid.
What is the SMILES notation for propan-1-ol;sulfuric acid?
The canonical SMILES for propan-1-ol;sulfuric acid is CCCO.O=S(=O)(O)O.
What is the InChIKey of propan-1-ol;sulfuric acid?
The InChIKey is CHOCRVHTVJREPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.H2O4S/c1-2-3-4;1-5(2,3)4/h4H,2-3H2,1H3;(H2,1,2,3,4).
What are the key properties of propan-1-ol;sulfuric acid?
propan-1-ol;sulfuric acid has a molecular weight of 158.17 g/mol, XLogP of -0.26, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-ol;sulfuric acid is sourced from PubChem (CID 18757021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).