3-(prop-2-enoxydisulfanyl)oxyprop-1-ene

C6H10O2S2 — CID 12969363

IUPAC3-(prop-2-enoxydisulfanyl)oxyprop-1-ene
SMILESC=CCOSSOCC=C
InChIInChI=1S/C6H10O2S2/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-6H2
InChIKeyBOOBBHAICWLJQC-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.60
Rot. Bonds7

About 3-(prop-2-enoxydisulfanyl)oxyprop-1-ene

3-(prop-2-enoxydisulfanyl)oxyprop-1-ene (PubChem CID 12969363) has the molecular formula C6H10O2S2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-(prop-2-enoxydisulfanyl)oxyprop-1-ene.

Molecular Properties

Compound Name3-(prop-2-enoxydisulfanyl)oxyprop-1-ene
PubChem CID12969363
Molecular FormulaC6H10O2S2
Molecular Weight178.28 g/mol
Exact Mass178.01
IUPAC Name3-(prop-2-enoxydisulfanyl)oxyprop-1-ene
SMILESC=CCOSSOCC=C
InChIInChI=1S/C6H10O2S2/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-6H2
InChIKeyBOOBBHAICWLJQC-UHFFFAOYSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-enoxydisulfanyl)oxyprop-1-ene?
The IUPAC name of 3-(prop-2-enoxydisulfanyl)oxyprop-1-ene (CID 12969363) is 3-(prop-2-enoxydisulfanyl)oxyprop-1-ene.
What is the SMILES notation for 3-(prop-2-enoxydisulfanyl)oxyprop-1-ene?
The canonical SMILES for 3-(prop-2-enoxydisulfanyl)oxyprop-1-ene is C=CCOSSOCC=C.
What is the InChIKey of 3-(prop-2-enoxydisulfanyl)oxyprop-1-ene?
The InChIKey is BOOBBHAICWLJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S2/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of 3-(prop-2-enoxydisulfanyl)oxyprop-1-ene?
3-(prop-2-enoxydisulfanyl)oxyprop-1-ene has a molecular weight of 178.28 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enoxydisulfanyl)oxyprop-1-ene is sourced from PubChem (CID 12969363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).