oxo-prop-1-enyl-propoxy-sulfanylidene-λ6-sulfane

C6H12O2S2 — CID 54203861

IUPACoxo-prop-1-enyl-propoxy-sulfanylidene-λ6-sulfane
SMILESCC=CS(=O)(=S)OCCC
InChIInChI=1S/C6H12O2S2/c1-3-5-8-10(7,9)6-4-2/h4,6H,3,5H2,1-2H3
InChIKeyPRDGAWNUCKTNJV-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.61
Rot. Bonds4

About oxo-prop-1-enyl-propoxy-sulfanylidene-λ6-sulfane

oxo-prop-1-enyl-propoxy-sulfanylidene-λ6-sulfane (PubChem CID 54203861) has the molecular formula C6H12O2S2 and a molecular weight of 180.29 g/mol. Its IUPAC name is oxo-prop-1-enyl-propoxy-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Nameoxo-prop-1-enyl-propoxy-sulfanylidene-λ6-sulfane
PubChem CID54203861
Molecular FormulaC6H12O2S2
Molecular Weight180.29 g/mol
Exact Mass180.03
IUPAC Nameoxo-prop-1-enyl-propoxy-sulfanylidene-λ6-sulfane
SMILESCC=CS(=O)(=S)OCCC
InChIInChI=1S/C6H12O2S2/c1-3-5-8-10(7,9)6-4-2/h4,6H,3,5H2,1-2H3
InChIKeyPRDGAWNUCKTNJV-UHFFFAOYSA-N
XLogP1.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxo-prop-1-enyl-propoxy-sulfanylidene-λ6-sulfane?
The IUPAC name of oxo-prop-1-enyl-propoxy-sulfanylidene-λ6-sulfane (CID 54203861) is oxo-prop-1-enyl-propoxy-sulfanylidene-λ6-sulfane.
What is the SMILES notation for oxo-prop-1-enyl-propoxy-sulfanylidene-λ6-sulfane?
The canonical SMILES for oxo-prop-1-enyl-propoxy-sulfanylidene-λ6-sulfane is CC=CS(=O)(=S)OCCC.
What is the InChIKey of oxo-prop-1-enyl-propoxy-sulfanylidene-λ6-sulfane?
The InChIKey is PRDGAWNUCKTNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S2/c1-3-5-8-10(7,9)6-4-2/h4,6H,3,5H2,1-2H3.
What are the key properties of oxo-prop-1-enyl-propoxy-sulfanylidene-λ6-sulfane?
oxo-prop-1-enyl-propoxy-sulfanylidene-λ6-sulfane has a molecular weight of 180.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-prop-1-enyl-propoxy-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 54203861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).