1,2-bis(prop-2-enyldisulfanyl)propane

C9H16S4 — CID 14223530

IUPAC1,2-bis(prop-2-enyldisulfanyl)propane
SMILESC=CCSSCC(C)SSCC=C
InChIInChI=1S/C9H16S4/c1-4-6-10-12-8-9(3)13-11-7-5-2/h4-5,9H,1-2,6-8H2,3H3
InChIKeyLNLPZTXIDLLSJF-UHFFFAOYSA-N
MW252.49 g/mol
LogP4.51
Rot. Bonds9

About 1,2-bis(prop-2-enyldisulfanyl)propane

1,2-bis(prop-2-enyldisulfanyl)propane (PubChem CID 14223530) has the molecular formula C9H16S4 and a molecular weight of 252.49 g/mol. Its IUPAC name is 1,2-bis(prop-2-enyldisulfanyl)propane.

Molecular Properties

Compound Name1,2-bis(prop-2-enyldisulfanyl)propane
PubChem CID14223530
Molecular FormulaC9H16S4
Molecular Weight252.49 g/mol
Exact Mass252.01
IUPAC Name1,2-bis(prop-2-enyldisulfanyl)propane
SMILESC=CCSSCC(C)SSCC=C
InChIInChI=1S/C9H16S4/c1-4-6-10-12-8-9(3)13-11-7-5-2/h4-5,9H,1-2,6-8H2,3H3
InChIKeyLNLPZTXIDLLSJF-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.49
LogP ≤ 54.51
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'}

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Related Compounds

2-prop-2-enylsulfanyl-1-(prop-2-enyltrisulfanyl)propane
CID 6429005
2-(prop-2-enyldisulfanyl)propanamide
CID 87643091
1-prop-2-enylsulfanylpropane-2-thiol
CID 14297241
2-acetamido-3-(prop-2-enyldisulfanyl)propanoic acid
CID 25124818
2-methyl-3-prop-2-enylsulfanylbutane
CID 525492
2-[(prop-2-enyldisulfanyl)methyl]thiirane
CID 139841839
2,5-bis(prop-2-enylsulfanyl)hex-3-yne
CID 10962296
(Z)-1-(prop-2-enyldisulfanyl)prop-1-ene
CID 5352907
2,5-diethyl-1,4-dithiane;3-(prop-2-enyldisulfanyl)prop-1-ene
CID 158435421
1-prop-2-enylsulfanylbutan-2-amine
CID 66228457
1-[2,3-bis(prop-2-enylsulfanyl)propyldisulfanyl]-2,3-bis(prop-2-enylsulfanyl)propane
CID 20768493
diethyl-(1-hydroxyethyl)-prop-2-enylazanium chloride
CID 175037929

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(prop-2-enyldisulfanyl)propane?
The IUPAC name of 1,2-bis(prop-2-enyldisulfanyl)propane (CID 14223530) is 1,2-bis(prop-2-enyldisulfanyl)propane.
What is the SMILES notation for 1,2-bis(prop-2-enyldisulfanyl)propane?
The canonical SMILES for 1,2-bis(prop-2-enyldisulfanyl)propane is C=CCSSCC(C)SSCC=C.
What is the InChIKey of 1,2-bis(prop-2-enyldisulfanyl)propane?
The InChIKey is LNLPZTXIDLLSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S4/c1-4-6-10-12-8-9(3)13-11-7-5-2/h4-5,9H,1-2,6-8H2,3H3.
What are the key properties of 1,2-bis(prop-2-enyldisulfanyl)propane?
1,2-bis(prop-2-enyldisulfanyl)propane has a molecular weight of 252.49 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-2-enyldisulfanyl)propane is sourced from PubChem (CID 14223530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).