1-methylsulfanyl-3-(3-methylsulfanylprop-2-enyldisulfanyl)prop-1-ene

C8H14S4 — CID 85408819

IUPAC1-methylsulfanyl-3-(3-methylsulfanylprop-2-enyldisulfanyl)prop-1-ene
SMILESCSC=CCSSCC=CSC
InChIInChI=1S/C8H14S4/c1-9-5-3-7-11-12-8-4-6-10-2/h3-6H,7-8H2,1-2H3
InChIKeyDMYGEKAQMJACKL-UHFFFAOYSA-N
MW238.47 g/mol
LogP4.12
Rot. Bonds7

About 1-methylsulfanyl-3-(3-methylsulfanylprop-2-enyldisulfanyl)prop-1-ene

1-methylsulfanyl-3-(3-methylsulfanylprop-2-enyldisulfanyl)prop-1-ene (PubChem CID 85408819) has the molecular formula C8H14S4 and a molecular weight of 238.47 g/mol. Its IUPAC name is 1-methylsulfanyl-3-(3-methylsulfanylprop-2-enyldisulfanyl)prop-1-ene.

Molecular Properties

Compound Name1-methylsulfanyl-3-(3-methylsulfanylprop-2-enyldisulfanyl)prop-1-ene
PubChem CID85408819
Molecular FormulaC8H14S4
Molecular Weight238.47 g/mol
Exact Mass238.00
IUPAC Name1-methylsulfanyl-3-(3-methylsulfanylprop-2-enyldisulfanyl)prop-1-ene
SMILESCSC=CCSSCC=CSC
InChIInChI=1S/C8H14S4/c1-9-5-3-7-11-12-8-4-6-10-2/h3-6H,7-8H2,1-2H3
InChIKeyDMYGEKAQMJACKL-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.47
LogP ≤ 54.12
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-3-(3-methylsulfanylprop-2-enyldisulfanyl)prop-1-ene?
The IUPAC name of 1-methylsulfanyl-3-(3-methylsulfanylprop-2-enyldisulfanyl)prop-1-ene (CID 85408819) is 1-methylsulfanyl-3-(3-methylsulfanylprop-2-enyldisulfanyl)prop-1-ene.
What is the SMILES notation for 1-methylsulfanyl-3-(3-methylsulfanylprop-2-enyldisulfanyl)prop-1-ene?
The canonical SMILES for 1-methylsulfanyl-3-(3-methylsulfanylprop-2-enyldisulfanyl)prop-1-ene is CSC=CCSSCC=CSC.
What is the InChIKey of 1-methylsulfanyl-3-(3-methylsulfanylprop-2-enyldisulfanyl)prop-1-ene?
The InChIKey is DMYGEKAQMJACKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S4/c1-9-5-3-7-11-12-8-4-6-10-2/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-methylsulfanyl-3-(3-methylsulfanylprop-2-enyldisulfanyl)prop-1-ene?
1-methylsulfanyl-3-(3-methylsulfanylprop-2-enyldisulfanyl)prop-1-ene has a molecular weight of 238.47 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-3-(3-methylsulfanylprop-2-enyldisulfanyl)prop-1-ene is sourced from PubChem (CID 85408819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).