thiolane 1-oxide

C4H8OS — CID 1128

IUPACthiolane 1-oxide
SMILESO=S1CCCC1
InChIInChI=1S/C4H8OS/c5-6-3-1-2-4-6/h1-4H2
InChIKeyISXOBTBCNRIIQO-UHFFFAOYSA-N
MW104.17 g/mol
LogP0.53
Rot. Bonds

About thiolane 1-oxide

thiolane 1-oxide (PubChem CID 1128) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is thiolane 1-oxide.

Molecular Properties

Compound Namethiolane 1-oxide
PubChem CID1128
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Namethiolane 1-oxide
SMILESO=S1CCCC1
InChIInChI=1S/C4H8OS/c5-6-3-1-2-4-6/h1-4H2
InChIKeyISXOBTBCNRIIQO-UHFFFAOYSA-N
XLogP0.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Sulfolane
CID 31347
1,1'-Sulfinylbis(propane)
CID 20252
3-Methylthiolane 1-oxide
CID 13363184
S,S-tetramethylenesulfoximide
CID 11274993
Tetramethylene-D8 sulfone
CID 2733922
Butane, 1-(ethylsulfinyl)-
CID 533730
2-Methylthiolane 1-oxide
CID 550020
(1R,3S)-1-oxothiolane-3-thiol
CID 10920566
Water-sulfolane
CID 69115191
Thiosulfolane
CID 70626215
Sulpholane-d2
CID 129670923
3-Fluorothiolane 1-oxide
CID 59776075

Frequently Asked Questions

What is the IUPAC name of thiolane 1-oxide?
The IUPAC name of thiolane 1-oxide (CID 1128) is thiolane 1-oxide.
What is the SMILES notation for thiolane 1-oxide?
The canonical SMILES for thiolane 1-oxide is O=S1CCCC1.
What is the InChIKey of thiolane 1-oxide?
The InChIKey is ISXOBTBCNRIIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS/c5-6-3-1-2-4-6/h1-4H2.
What are the key properties of thiolane 1-oxide?
thiolane 1-oxide has a molecular weight of 104.17 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for thiolane 1-oxide is sourced from PubChem (CID 1128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).