3-(disulfanyl)prop-1-ene

C3H6S2 — CID 6429007

IUPAC3-(disulfanyl)prop-1-ene
SMILESC=CCSS
InChIInChI=1S/C3H6S2/c1-2-3-5-4/h2,4H,1,3H2
InChIKeyVVYGQCSDUHWFGO-UHFFFAOYSA-N
MW106.21 g/mol
LogP1.75
Rot. Bonds2

About 3-(disulfanyl)prop-1-ene

3-(disulfanyl)prop-1-ene (PubChem CID 6429007) has the molecular formula C3H6S2 and a molecular weight of 106.21 g/mol. Its IUPAC name is 3-(disulfanyl)prop-1-ene.

Molecular Properties

Compound Name3-(disulfanyl)prop-1-ene
PubChem CID6429007
Molecular FormulaC3H6S2
Molecular Weight106.21 g/mol
Exact Mass105.99
IUPAC Name3-(disulfanyl)prop-1-ene
SMILESC=CCSS
InChIInChI=1S/C3H6S2/c1-2-3-5-4/h2,4H,1,3H2
InChIKeyVVYGQCSDUHWFGO-UHFFFAOYSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(disulfanyl)prop-1-ene?
The IUPAC name of 3-(disulfanyl)prop-1-ene (CID 6429007) is 3-(disulfanyl)prop-1-ene.
What is the SMILES notation for 3-(disulfanyl)prop-1-ene?
The canonical SMILES for 3-(disulfanyl)prop-1-ene is C=CCSS.
What is the InChIKey of 3-(disulfanyl)prop-1-ene?
The InChIKey is VVYGQCSDUHWFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6S2/c1-2-3-5-4/h2,4H,1,3H2.
What are the key properties of 3-(disulfanyl)prop-1-ene?
3-(disulfanyl)prop-1-ene has a molecular weight of 106.21 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(disulfanyl)prop-1-ene is sourced from PubChem (CID 6429007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).