butane;sulfur dioxide

C4H10O2S — CID 87195987

IUPACbutane;sulfur dioxide
SMILESCCCC.O=S=O
InChIInChI=1S/C4H10.O2S/c1-3-4-2;1-3-2/h3-4H2,1-2H3;
InChIKeyJQWFSVZMHZAFCB-UHFFFAOYSA-N
MW122.19 g/mol
LogP1.14
Rot. Bonds1

About butane;sulfur dioxide

butane;sulfur dioxide (PubChem CID 87195987) has the molecular formula C4H10O2S and a molecular weight of 122.19 g/mol. Its IUPAC name is butane;sulfur dioxide.

Molecular Properties

Compound Namebutane;sulfur dioxide
PubChem CID87195987
Molecular FormulaC4H10O2S
Molecular Weight122.19 g/mol
Exact Mass122.04
IUPAC Namebutane;sulfur dioxide
SMILESCCCC.O=S=O
InChIInChI=1S/C4H10.O2S/c1-3-4-2;1-3-2/h3-4H2,1-2H3;
InChIKeyJQWFSVZMHZAFCB-UHFFFAOYSA-N
XLogP1.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.19
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butane;sulfur dioxide?
The IUPAC name of butane;sulfur dioxide (CID 87195987) is butane;sulfur dioxide.
What is the SMILES notation for butane;sulfur dioxide?
The canonical SMILES for butane;sulfur dioxide is CCCC.O=S=O.
What is the InChIKey of butane;sulfur dioxide?
The InChIKey is JQWFSVZMHZAFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.O2S/c1-3-4-2;1-3-2/h3-4H2,1-2H3;.
What are the key properties of butane;sulfur dioxide?
butane;sulfur dioxide has a molecular weight of 122.19 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;sulfur dioxide is sourced from PubChem (CID 87195987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).