ethoxyethane;3-(prop-2-enyldisulfanyl)prop-1-ene

C10H20OS2 — CID 134284297

IUPACethoxyethane;3-(prop-2-enyldisulfanyl)prop-1-ene
SMILESC=CCSSCC=C.CCOCC
InChIInChI=1S/C6H10S2.C4H10O/c1-3-5-7-8-6-4-2;1-3-5-4-2/h3-4H,1-2,5-6H2;3-4H2,1-2H3
InChIKeyBZLAYVSWYATTBB-UHFFFAOYSA-N
MW220.40 g/mol
LogP3.78
Rot. Bonds7

About ethoxyethane;3-(prop-2-enyldisulfanyl)prop-1-ene

ethoxyethane;3-(prop-2-enyldisulfanyl)prop-1-ene (PubChem CID 134284297) has the molecular formula C10H20OS2 and a molecular weight of 220.40 g/mol. Its IUPAC name is ethoxyethane;3-(prop-2-enyldisulfanyl)prop-1-ene.

Molecular Properties

Compound Nameethoxyethane;3-(prop-2-enyldisulfanyl)prop-1-ene
PubChem CID134284297
Molecular FormulaC10H20OS2
Molecular Weight220.40 g/mol
Exact Mass220.10
IUPAC Nameethoxyethane;3-(prop-2-enyldisulfanyl)prop-1-ene
SMILESC=CCSSCC=C.CCOCC
InChIInChI=1S/C6H10S2.C4H10O/c1-3-5-7-8-6-4-2;1-3-5-4-2/h3-4H,1-2,5-6H2;3-4H2,1-2H3
InChIKeyBZLAYVSWYATTBB-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.40
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethoxyethane;3-(prop-2-enyldisulfanyl)prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Oxa-4,10-dithiatridecane-1,12-diene
CID 86069100
3H-dithiole;ethoxyethane
CID 87509367
Dithiine;ethoxyethane
CID 88379159
1-Prop-2-enylsulfanyl-1-(1-prop-2-enylsulfanylpropoxy)propane
CID 88441777
1-Prop-2-enylsulfanyl-3-(3-prop-2-enylsulfanylpropoxy)propane
CID 88441779
But-3-ene-1-thiol;ethoxyethane
CID 88789442
2-(2-Propoxyethylsulfanyl)buta-1,3-diene
CID 89189946
1-Ethoxy-3-(3-ethoxyprop-2-enyldisulfanyl)prop-1-ene
CID 134208767
3-Ethoxy-3-(1-ethoxyprop-2-enyldisulfanyl)prop-1-ene
CID 134208768
1,2-diethoxyethane;3H-dithiole
CID 157064365
Ethane-1,1-dithiol;3-prop-2-enoxyprop-1-ene
CID 170350350
3-(Prop-2-enyldisulfanyl)prop-1-ene;1-propoxypropane
CID 174272346

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;3-(prop-2-enyldisulfanyl)prop-1-ene?
The IUPAC name of ethoxyethane;3-(prop-2-enyldisulfanyl)prop-1-ene (CID 134284297) is ethoxyethane;3-(prop-2-enyldisulfanyl)prop-1-ene.
What is the SMILES notation for ethoxyethane;3-(prop-2-enyldisulfanyl)prop-1-ene?
The canonical SMILES for ethoxyethane;3-(prop-2-enyldisulfanyl)prop-1-ene is C=CCSSCC=C.CCOCC.
What is the InChIKey of ethoxyethane;3-(prop-2-enyldisulfanyl)prop-1-ene?
The InChIKey is BZLAYVSWYATTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S2.C4H10O/c1-3-5-7-8-6-4-2;1-3-5-4-2/h3-4H,1-2,5-6H2;3-4H2,1-2H3.
What are the key properties of ethoxyethane;3-(prop-2-enyldisulfanyl)prop-1-ene?
ethoxyethane;3-(prop-2-enyldisulfanyl)prop-1-ene has a molecular weight of 220.40 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;3-(prop-2-enyldisulfanyl)prop-1-ene is sourced from PubChem (CID 134284297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).