1-methylsulfanyl-1-(prop-1-enyldisulfanyl)propane

C7H14S3 — CID 5319790

IUPAC1-methylsulfanyl-1-(prop-1-enyldisulfanyl)propane
SMILESCC=CSSC(CC)SC
InChIInChI=1S/C7H14S3/c1-4-6-9-10-7(5-2)8-3/h4,6-7H,5H2,1-3H3
InChIKeyIBBCARUEUHCYHK-UHFFFAOYSA-N
MW194.39 g/mol
LogP4.00
Rot. Bonds5

About 1-methylsulfanyl-1-(prop-1-enyldisulfanyl)propane

1-methylsulfanyl-1-(prop-1-enyldisulfanyl)propane (PubChem CID 5319790) has the molecular formula C7H14S3 and a molecular weight of 194.39 g/mol. Its IUPAC name is 1-methylsulfanyl-1-(prop-1-enyldisulfanyl)propane.

Molecular Properties

Compound Name1-methylsulfanyl-1-(prop-1-enyldisulfanyl)propane
PubChem CID5319790
Molecular FormulaC7H14S3
Molecular Weight194.39 g/mol
Exact Mass194.03
IUPAC Name1-methylsulfanyl-1-(prop-1-enyldisulfanyl)propane
SMILESCC=CSSC(CC)SC
InChIInChI=1S/C7H14S3/c1-4-6-9-10-7(5-2)8-3/h4,6-7H,5H2,1-3H3
InChIKeyIBBCARUEUHCYHK-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-1-(prop-1-enyldisulfanyl)propane?
The IUPAC name of 1-methylsulfanyl-1-(prop-1-enyldisulfanyl)propane (CID 5319790) is 1-methylsulfanyl-1-(prop-1-enyldisulfanyl)propane.
What is the SMILES notation for 1-methylsulfanyl-1-(prop-1-enyldisulfanyl)propane?
The canonical SMILES for 1-methylsulfanyl-1-(prop-1-enyldisulfanyl)propane is CC=CSSC(CC)SC.
What is the InChIKey of 1-methylsulfanyl-1-(prop-1-enyldisulfanyl)propane?
The InChIKey is IBBCARUEUHCYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S3/c1-4-6-9-10-7(5-2)8-3/h4,6-7H,5H2,1-3H3.
What are the key properties of 1-methylsulfanyl-1-(prop-1-enyldisulfanyl)propane?
1-methylsulfanyl-1-(prop-1-enyldisulfanyl)propane has a molecular weight of 194.39 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-1-(prop-1-enyldisulfanyl)propane is sourced from PubChem (CID 5319790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).