4-prop-2-enylsulfanyloxane

C8H14OS — CID 126992669

IUPAC4-prop-2-enylsulfanyloxane
SMILESC=CCSC1CCOCC1
InChIInChI=1S/C8H14OS/c1-2-7-10-8-3-5-9-6-4-8/h2,8H,1,3-7H2
InChIKeyKBKWLAJTEMFTFJ-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.08
Rot. Bonds3

About 4-prop-2-enylsulfanyloxane

4-prop-2-enylsulfanyloxane (PubChem CID 126992669) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 4-prop-2-enylsulfanyloxane.

Molecular Properties

Compound Name4-prop-2-enylsulfanyloxane
PubChem CID126992669
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name4-prop-2-enylsulfanyloxane
SMILESC=CCSC1CCOCC1
InChIInChI=1S/C8H14OS/c1-2-7-10-8-3-5-9-6-4-8/h2,8H,1,3-7H2
InChIKeyKBKWLAJTEMFTFJ-UHFFFAOYSA-N
XLogP2.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Ethenylsulfanyloxane
CID 10931559
2-Prop-2-enoxythiane
CID 53697232
Methylidene-(oxan-2-yl)-prop-2-enyl-lambda4-sulfane
CID 57081654
S-(oxan-2-yl) prop-2-enethioate
CID 140077880
4-Prop-2-enyl-1,4-oxathian-4-ium
CID 141652900
2-(2-Methylprop-2-enylsulfanyl)oxane
CID 164745338
2-Hex-5-enylsulfanyloxane
CID 176163496
2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dithiane
CID 176605003
2-(Prop-2-enylsulfanylmethyl)oxolane
CID 3652517
Magnesium;2-phenylsulfanyloxane;bromide
CID 71406527
4-(4-Chlorobut-2-enylsulfanyl)oxane
CID 77051228
Magnesium bromide 4-[(oxan-2-yl)sulfanyl]benzen-1-ide (1/1/1)
CID 78066943

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylsulfanyloxane?
The IUPAC name of 4-prop-2-enylsulfanyloxane (CID 126992669) is 4-prop-2-enylsulfanyloxane.
What is the SMILES notation for 4-prop-2-enylsulfanyloxane?
The canonical SMILES for 4-prop-2-enylsulfanyloxane is C=CCSC1CCOCC1.
What is the InChIKey of 4-prop-2-enylsulfanyloxane?
The InChIKey is KBKWLAJTEMFTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-2-7-10-8-3-5-9-6-4-8/h2,8H,1,3-7H2.
What are the key properties of 4-prop-2-enylsulfanyloxane?
4-prop-2-enylsulfanyloxane has a molecular weight of 158.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylsulfanyloxane is sourced from PubChem (CID 126992669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).