1-(methyldisulfanyl)prop-1-ene

C4H8S2 — CID 521863

IUPAC1-(methyldisulfanyl)prop-1-ene
SMILESCC=CSSC
InChIInChI=1S/C4H8S2/c1-3-4-6-5-2/h3-4H,1-2H3
InChIKeyFUDUFCLRGSEHAJ-UHFFFAOYSA-N
MW120.24 g/mol
LogP2.53
Rot. Bonds2

About 1-(methyldisulfanyl)prop-1-ene

1-(methyldisulfanyl)prop-1-ene (PubChem CID 521863) has the molecular formula C4H8S2 and a molecular weight of 120.24 g/mol. Its IUPAC name is 1-(methyldisulfanyl)prop-1-ene.

Molecular Properties

Compound Name1-(methyldisulfanyl)prop-1-ene
PubChem CID521863
Molecular FormulaC4H8S2
Molecular Weight120.24 g/mol
Exact Mass120.01
IUPAC Name1-(methyldisulfanyl)prop-1-ene
SMILESCC=CSSC
InChIInChI=1S/C4H8S2/c1-3-4-6-5-2/h3-4H,1-2H3
InChIKeyFUDUFCLRGSEHAJ-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.24
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(methyldisulfanyl)prop-1-ene?
The IUPAC name of 1-(methyldisulfanyl)prop-1-ene (CID 521863) is 1-(methyldisulfanyl)prop-1-ene.
What is the SMILES notation for 1-(methyldisulfanyl)prop-1-ene?
The canonical SMILES for 1-(methyldisulfanyl)prop-1-ene is CC=CSSC.
What is the InChIKey of 1-(methyldisulfanyl)prop-1-ene?
The InChIKey is FUDUFCLRGSEHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S2/c1-3-4-6-5-2/h3-4H,1-2H3.
What are the key properties of 1-(methyldisulfanyl)prop-1-ene?
1-(methyldisulfanyl)prop-1-ene has a molecular weight of 120.24 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methyldisulfanyl)prop-1-ene is sourced from PubChem (CID 521863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).