ethyl-(oxan-2-yl)-propylidene-λ4-sulfane

C10H20OS — CID 56974101

IUPACethyl-(oxan-2-yl)-propylidene-λ4-sulfane
SMILESCCC=S(CC)C1CCCCO1
InChIInChI=1S/C10H20OS/c1-3-9-12(4-2)10-7-5-6-8-11-10/h9-10H,3-8H2,1-2H3
InChIKeyLVAZNVBIOAEJBK-UHFFFAOYSA-N
MW188.34 g/mol
LogP3.01
Rot. Bonds3

About ethyl-(oxan-2-yl)-propylidene-λ4-sulfane

ethyl-(oxan-2-yl)-propylidene-λ4-sulfane (PubChem CID 56974101) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is ethyl-(oxan-2-yl)-propylidene-λ4-sulfane.

Molecular Properties

Compound Nameethyl-(oxan-2-yl)-propylidene-λ4-sulfane
PubChem CID56974101
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Nameethyl-(oxan-2-yl)-propylidene-λ4-sulfane
SMILESCCC=S(CC)C1CCCCO1
InChIInChI=1S/C10H20OS/c1-3-9-12(4-2)10-7-5-6-8-11-10/h9-10H,3-8H2,1-2H3
InChIKeyLVAZNVBIOAEJBK-UHFFFAOYSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 53.01
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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Related Compounds

oxan-2-yl-propyl-propylidene-λ4-sulfane
CID 57111645
methyl-(oxolan-2-yl)-propylidene-λ4-sulfane
CID 56975586
methyl-(oxan-2-yl)-propylidenesilane
CID 175339327
2-but-1-enyloxane
CID 54120972
(2R)-2-[(Z)-pent-2-enyl]oxane
CID 154446695
2-methyloxane;propane
CID 171074580
CID 88678094
CID 88678094
N-(oxan-2-yloxy)oct-5-en-3-imine
CID 88720218
(2R)-2-ethyloxolane
CID 641529
(2R)-2-(2-methylpropyl)oxane
CID 58653197
ethanol;oxan-2-ylmethanol
CID 66900182
azane;2-ethyloxolane
CID 174465001

Frequently Asked Questions

What is the IUPAC name of ethyl-(oxan-2-yl)-propylidene-λ4-sulfane?
The IUPAC name of ethyl-(oxan-2-yl)-propylidene-λ4-sulfane (CID 56974101) is ethyl-(oxan-2-yl)-propylidene-λ4-sulfane.
What is the SMILES notation for ethyl-(oxan-2-yl)-propylidene-λ4-sulfane?
The canonical SMILES for ethyl-(oxan-2-yl)-propylidene-λ4-sulfane is CCC=S(CC)C1CCCCO1.
What is the InChIKey of ethyl-(oxan-2-yl)-propylidene-λ4-sulfane?
The InChIKey is LVAZNVBIOAEJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-3-9-12(4-2)10-7-5-6-8-11-10/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl-(oxan-2-yl)-propylidene-λ4-sulfane?
ethyl-(oxan-2-yl)-propylidene-λ4-sulfane has a molecular weight of 188.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(oxan-2-yl)-propylidene-λ4-sulfane is sourced from PubChem (CID 56974101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).