hex-3-ene;sulfane

C6H14S — CID 174453265

IUPAChex-3-ene;sulfane
SMILESCCC=CCC.S
InChIInChI=1S/C6H12.H2S/c1-3-5-6-4-2;/h5-6H,3-4H2,1-2H3;1H2
InChIKeyXGBKWWUDWXAXJU-UHFFFAOYSA-N
MW118.24 g/mol
LogP2.48
Rot. Bonds2

About hex-3-ene;sulfane

hex-3-ene;sulfane (PubChem CID 174453265) has the molecular formula C6H14S and a molecular weight of 118.24 g/mol. Its IUPAC name is hex-3-ene;sulfane.

Molecular Properties

Compound Namehex-3-ene;sulfane
PubChem CID174453265
Molecular FormulaC6H14S
Molecular Weight118.24 g/mol
Exact Mass118.08
IUPAC Namehex-3-ene;sulfane
SMILESCCC=CCC.S
InChIInChI=1S/C6H12.H2S/c1-3-5-6-4-2;/h5-6H,3-4H2,1-2H3;1H2
InChIKeyXGBKWWUDWXAXJU-UHFFFAOYSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.24
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hex-3-ene;hydrochloride
CID 159012047
(Z)-hex-3-ene;methylazanium
CID 158917607
magnesium;(Z)-hex-3-ene;dibromide
CID 175085917
pentadeca-3,6,9,12-tetraene
CID 123748490
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
bis((E)-but-1-ene-1-thiol);sulfane
CID 87238533
(Z)-hex-3-ene
CID 154602918
carbon dioxide;hex-3-ene;hydrate
CID 175552917
(5E)-octa-3,5-diene
CID 173104147
acetic acid;(Z)-hex-3-ene
CID 87142970
(3E,16E)-nonadeca-3,16-diene
CID 157471321

Frequently Asked Questions

What is the IUPAC name of hex-3-ene;sulfane?
The IUPAC name of hex-3-ene;sulfane (CID 174453265) is hex-3-ene;sulfane.
What is the SMILES notation for hex-3-ene;sulfane?
The canonical SMILES for hex-3-ene;sulfane is CCC=CCC.S.
What is the InChIKey of hex-3-ene;sulfane?
The InChIKey is XGBKWWUDWXAXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.H2S/c1-3-5-6-4-2;/h5-6H,3-4H2,1-2H3;1H2.
What are the key properties of hex-3-ene;sulfane?
hex-3-ene;sulfane has a molecular weight of 118.24 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-3-ene;sulfane is sourced from PubChem (CID 174453265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).