propane;thietane

C6H14S — CID 142048001

IUPACpropane;thietane
SMILESC1CSC1.CCC
InChIInChI=1S/C3H6S.C3H8/c1-2-4-3-1;1-3-2/h1-3H2;3H2,1-2H3
InChIKeyXXDYBLQICMEGLE-UHFFFAOYSA-N
MW118.25 g/mol
LogP2.54
Rot. Bonds

About propane;thietane

propane;thietane (PubChem CID 142048001) has the molecular formula C6H14S and a molecular weight of 118.25 g/mol. Its IUPAC name is propane;thietane.

Molecular Properties

Compound Namepropane;thietane
PubChem CID142048001
Molecular FormulaC6H14S
Molecular Weight118.25 g/mol
Exact Mass118.08
IUPAC Namepropane;thietane
SMILESC1CSC1.CCC
InChIInChI=1S/C3H6S.C3H8/c1-2-4-3-1;1-3-2/h1-3H2;3H2,1-2H3
InChIKeyXXDYBLQICMEGLE-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propane;thietane?
The IUPAC name of propane;thietane (CID 142048001) is propane;thietane.
What is the SMILES notation for propane;thietane?
The canonical SMILES for propane;thietane is C1CSC1.CCC.
What is the InChIKey of propane;thietane?
The InChIKey is XXDYBLQICMEGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6S.C3H8/c1-2-4-3-1;1-3-2/h1-3H2;3H2,1-2H3.
What are the key properties of propane;thietane?
propane;thietane has a molecular weight of 118.25 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;thietane is sourced from PubChem (CID 142048001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).