3-(prop-2-enylsulfanylmethoxymethylsulfanyl)prop-1-ene

C8H14OS2 — CID 87170464

IUPAC3-(prop-2-enylsulfanylmethoxymethylsulfanyl)prop-1-ene
SMILESC=CCSCOCSCC=C
InChIInChI=1S/C8H14OS2/c1-3-5-10-7-9-8-11-6-4-2/h3-4H,1-2,5-8H2
InChIKeySEWBSWXQMWYRBU-UHFFFAOYSA-N
MW190.33 g/mol
LogP2.76
Rot. Bonds8

About 3-(prop-2-enylsulfanylmethoxymethylsulfanyl)prop-1-ene

3-(prop-2-enylsulfanylmethoxymethylsulfanyl)prop-1-ene (PubChem CID 87170464) has the molecular formula C8H14OS2 and a molecular weight of 190.33 g/mol. Its IUPAC name is 3-(prop-2-enylsulfanylmethoxymethylsulfanyl)prop-1-ene.

Molecular Properties

Compound Name3-(prop-2-enylsulfanylmethoxymethylsulfanyl)prop-1-ene
PubChem CID87170464
Molecular FormulaC8H14OS2
Molecular Weight190.33 g/mol
Exact Mass190.05
IUPAC Name3-(prop-2-enylsulfanylmethoxymethylsulfanyl)prop-1-ene
SMILESC=CCSCOCSCC=C
InChIInChI=1S/C8H14OS2/c1-3-5-10-7-9-8-11-6-4-2/h3-4H,1-2,5-8H2
InChIKeySEWBSWXQMWYRBU-UHFFFAOYSA-N
XLogP2.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-enylsulfanylmethoxymethylsulfanyl)prop-1-ene?
The IUPAC name of 3-(prop-2-enylsulfanylmethoxymethylsulfanyl)prop-1-ene (CID 87170464) is 3-(prop-2-enylsulfanylmethoxymethylsulfanyl)prop-1-ene.
What is the SMILES notation for 3-(prop-2-enylsulfanylmethoxymethylsulfanyl)prop-1-ene?
The canonical SMILES for 3-(prop-2-enylsulfanylmethoxymethylsulfanyl)prop-1-ene is C=CCSCOCSCC=C.
What is the InChIKey of 3-(prop-2-enylsulfanylmethoxymethylsulfanyl)prop-1-ene?
The InChIKey is SEWBSWXQMWYRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS2/c1-3-5-10-7-9-8-11-6-4-2/h3-4H,1-2,5-8H2.
What are the key properties of 3-(prop-2-enylsulfanylmethoxymethylsulfanyl)prop-1-ene?
3-(prop-2-enylsulfanylmethoxymethylsulfanyl)prop-1-ene has a molecular weight of 190.33 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enylsulfanylmethoxymethylsulfanyl)prop-1-ene is sourced from PubChem (CID 87170464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).