butane;sulfur trioxide

C4H10O3S — CID 160952280

IUPACbutane;sulfur trioxide
SMILESCCCC.O=S(=O)=O
InChIInChI=1S/C4H10.O3S/c1-3-4-2;1-4(2)3/h3-4H2,1-2H3;
InChIKeySVXNGSLZYASESZ-UHFFFAOYSA-N
MW138.19 g/mol
LogP0.80
Rot. Bonds1

About butane;sulfur trioxide

butane;sulfur trioxide (PubChem CID 160952280) has the molecular formula C4H10O3S and a molecular weight of 138.19 g/mol. Its IUPAC name is butane;sulfur trioxide.

Molecular Properties

Compound Namebutane;sulfur trioxide
PubChem CID160952280
Molecular FormulaC4H10O3S
Molecular Weight138.19 g/mol
Exact Mass138.04
IUPAC Namebutane;sulfur trioxide
SMILESCCCC.O=S(=O)=O
InChIInChI=1S/C4H10.O3S/c1-3-4-2;1-4(2)3/h3-4H2,1-2H3;
InChIKeySVXNGSLZYASESZ-UHFFFAOYSA-N
XLogP0.80
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze butane;sulfur trioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butane;sulfur trioxide?
The IUPAC name of butane;sulfur trioxide (CID 160952280) is butane;sulfur trioxide.
What is the SMILES notation for butane;sulfur trioxide?
The canonical SMILES for butane;sulfur trioxide is CCCC.O=S(=O)=O.
What is the InChIKey of butane;sulfur trioxide?
The InChIKey is SVXNGSLZYASESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.O3S/c1-3-4-2;1-4(2)3/h3-4H2,1-2H3;.
What are the key properties of butane;sulfur trioxide?
butane;sulfur trioxide has a molecular weight of 138.19 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;sulfur trioxide is sourced from PubChem (CID 160952280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).