butan-1-ol;sulfurous acid

C4H12O4S — CID 88820964

IUPACbutan-1-ol;sulfurous acid
SMILESCCCCO.O=S(O)O
InChIInChI=1S/C4H10O.H2O3S/c1-2-3-4-5;1-4(2)3/h5H,2-4H2,1H3;(H2,1,2,3)
InChIKeyRPGYRXQXSKBXFX-UHFFFAOYSA-N
MW156.20 g/mol
LogP0.46
Rot. Bonds2

About butan-1-ol;sulfurous acid

butan-1-ol;sulfurous acid (PubChem CID 88820964) has the molecular formula C4H12O4S and a molecular weight of 156.20 g/mol. Its IUPAC name is butan-1-ol;sulfurous acid.

Molecular Properties

Compound Namebutan-1-ol;sulfurous acid
PubChem CID88820964
Molecular FormulaC4H12O4S
Molecular Weight156.20 g/mol
Exact Mass156.05
IUPAC Namebutan-1-ol;sulfurous acid
SMILESCCCCO.O=S(O)O
InChIInChI=1S/C4H10O.H2O3S/c1-2-3-4-5;1-4(2)3/h5H,2-4H2,1H3;(H2,1,2,3)
InChIKeyRPGYRXQXSKBXFX-UHFFFAOYSA-N
XLogP0.46
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
tetrakis(butan-1-ol);oxozirconium
CID 173370140
butan-1-ol;nickel
CID 22477011
sodium butan-1-ol
CID 19366054
butane;butan-1-ol
CID 19774960
tris(butan-1-ol);zirconium
CID 25200102
butan-1-ol;cadmium
CID 154199105
butan-1-ol;methanol
CID 23065762
butan-1-ol;plumbane
CID 173408910
tetrakis(butan-1-ol);cerium
CID 87109841
pentakis(butan-1-ol);vanadium
CID 14228635

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;sulfurous acid?
The IUPAC name of butan-1-ol;sulfurous acid (CID 88820964) is butan-1-ol;sulfurous acid.
What is the SMILES notation for butan-1-ol;sulfurous acid?
The canonical SMILES for butan-1-ol;sulfurous acid is CCCCO.O=S(O)O.
What is the InChIKey of butan-1-ol;sulfurous acid?
The InChIKey is RPGYRXQXSKBXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.H2O3S/c1-2-3-4-5;1-4(2)3/h5H,2-4H2,1H3;(H2,1,2,3).
What are the key properties of butan-1-ol;sulfurous acid?
butan-1-ol;sulfurous acid has a molecular weight of 156.20 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;sulfurous acid is sourced from PubChem (CID 88820964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).