methyl-(oxolan-2-yl)-propylidene-λ4-sulfane

C8H16OS — CID 56975586

IUPACmethyl-(oxolan-2-yl)-propylidene-λ4-sulfane
SMILESCCC=S(C)C1CCCO1
InChIInChI=1S/C8H16OS/c1-3-7-10(2)8-5-4-6-9-8/h7-8H,3-6H2,1-2H3
InChIKeyAYCOQGHEBIIOQP-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.23
Rot. Bonds2

About methyl-(oxolan-2-yl)-propylidene-λ4-sulfane

methyl-(oxolan-2-yl)-propylidene-λ4-sulfane (PubChem CID 56975586) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is methyl-(oxolan-2-yl)-propylidene-λ4-sulfane.

Molecular Properties

Compound Namemethyl-(oxolan-2-yl)-propylidene-λ4-sulfane
PubChem CID56975586
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Namemethyl-(oxolan-2-yl)-propylidene-λ4-sulfane
SMILESCCC=S(C)C1CCCO1
InChIInChI=1S/C8H16OS/c1-3-7-10(2)8-5-4-6-9-8/h7-8H,3-6H2,1-2H3
InChIKeyAYCOQGHEBIIOQP-UHFFFAOYSA-N
XLogP2.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-(oxolan-2-yl)-propylidene-λ4-sulfane?
The IUPAC name of methyl-(oxolan-2-yl)-propylidene-λ4-sulfane (CID 56975586) is methyl-(oxolan-2-yl)-propylidene-λ4-sulfane.
What is the SMILES notation for methyl-(oxolan-2-yl)-propylidene-λ4-sulfane?
The canonical SMILES for methyl-(oxolan-2-yl)-propylidene-λ4-sulfane is CCC=S(C)C1CCCO1.
What is the InChIKey of methyl-(oxolan-2-yl)-propylidene-λ4-sulfane?
The InChIKey is AYCOQGHEBIIOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-3-7-10(2)8-5-4-6-9-8/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl-(oxolan-2-yl)-propylidene-λ4-sulfane?
methyl-(oxolan-2-yl)-propylidene-λ4-sulfane has a molecular weight of 160.28 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(oxolan-2-yl)-propylidene-λ4-sulfane is sourced from PubChem (CID 56975586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).