3,4-dihydro-2H-pyran;sulfane

C5H10OS — CID 174519191

IUPAC3,4-dihydro-2H-pyran;sulfane
SMILESC1=COCCC1.S
InChIInChI=1S/C5H8O.H2S/c1-2-4-6-5-3-1;/h2,4H,1,3,5H2;1H2
InChIKeyMHGVFULZJLUWCK-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.42
Rot. Bonds

About 3,4-dihydro-2H-pyran;sulfane

3,4-dihydro-2H-pyran;sulfane (PubChem CID 174519191) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran;sulfane.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran;sulfane
PubChem CID174519191
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name3,4-dihydro-2H-pyran;sulfane
SMILESC1=COCCC1.S
InChIInChI=1S/C5H8O.H2S/c1-2-4-6-5-3-1;/h2,4H,1,3,5H2;1H2
InChIKeyMHGVFULZJLUWCK-UHFFFAOYSA-N
XLogP1.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran;sulfane?
The IUPAC name of 3,4-dihydro-2H-pyran;sulfane (CID 174519191) is 3,4-dihydro-2H-pyran;sulfane.
What is the SMILES notation for 3,4-dihydro-2H-pyran;sulfane?
The canonical SMILES for 3,4-dihydro-2H-pyran;sulfane is C1=COCCC1.S.
What is the InChIKey of 3,4-dihydro-2H-pyran;sulfane?
The InChIKey is MHGVFULZJLUWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.H2S/c1-2-4-6-5-3-1;/h2,4H,1,3,5H2;1H2.
What are the key properties of 3,4-dihydro-2H-pyran;sulfane?
3,4-dihydro-2H-pyran;sulfane has a molecular weight of 118.20 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran;sulfane is sourced from PubChem (CID 174519191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).