4-methylsulfanyloxane

C6H12OS — CID 54181372

IUPAC4-methylsulfanyloxane
SMILESCSC1CCOCC1
InChIInChI=1S/C6H12OS/c1-8-6-2-4-7-5-3-6/h6H,2-5H2,1H3
InChIKeyDZLVZPDSFCHVDI-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.53
Rot. Bonds1

About 4-methylsulfanyloxane

4-methylsulfanyloxane (PubChem CID 54181372) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 4-methylsulfanyloxane.

Molecular Properties

Compound Name4-methylsulfanyloxane
PubChem CID54181372
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name4-methylsulfanyloxane
SMILESCSC1CCOCC1
InChIInChI=1S/C6H12OS/c1-8-6-2-4-7-5-3-6/h6H,2-5H2,1H3
InChIKeyDZLVZPDSFCHVDI-UHFFFAOYSA-N
XLogP1.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyloxane?
The IUPAC name of 4-methylsulfanyloxane (CID 54181372) is 4-methylsulfanyloxane.
What is the SMILES notation for 4-methylsulfanyloxane?
The canonical SMILES for 4-methylsulfanyloxane is CSC1CCOCC1.
What is the InChIKey of 4-methylsulfanyloxane?
The InChIKey is DZLVZPDSFCHVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-8-6-2-4-7-5-3-6/h6H,2-5H2,1H3.
What are the key properties of 4-methylsulfanyloxane?
4-methylsulfanyloxane has a molecular weight of 132.23 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyloxane is sourced from PubChem (CID 54181372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).