1-(prop-2-enyldisulfanyl)propane

C6H12S2 — CID 16591

IUPAC1-(prop-2-enyldisulfanyl)propane
SMILESC=CCSSCCC
InChIInChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3H,1,4-6H2,2H3
InChIKeyFCSSPCOFDUKHPV-UHFFFAOYSA-N
MW148.30 g/mol
LogP2.96
Rot. Bonds5

About 1-(prop-2-enyldisulfanyl)propane

1-(prop-2-enyldisulfanyl)propane (PubChem CID 16591) has the molecular formula C6H12S2 and a molecular weight of 148.30 g/mol. Its IUPAC name is 1-(prop-2-enyldisulfanyl)propane.

Molecular Properties

Compound Name1-(prop-2-enyldisulfanyl)propane
PubChem CID16591
Molecular FormulaC6H12S2
Molecular Weight148.30 g/mol
Exact Mass148.04
IUPAC Name1-(prop-2-enyldisulfanyl)propane
SMILESC=CCSSCCC
InChIInChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3H,1,4-6H2,2H3
InChIKeyFCSSPCOFDUKHPV-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Diallyl Disulfide
CID 16590
Diallyl Trisulfide
CID 16315
Allyl methyl disulfide
CID 62434
Allyl methyl sulfide
CID 66282
Diallyl Tetrasulfide
CID 75552
Methylallyl trisulfide
CID 61926
Methyl 1-propenyl sulfide
CID 637915
Allyl methyl tetrasulfide
CID 525329
Diallyl hexasulfide
CID 9882013
Di-2-propenyl heptasulfide
CID 53854515
Allyl propyl trisulfide
CID 525330
Di-1-propenyl sulfide
CID 5370448

Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enyldisulfanyl)propane?
The IUPAC name of 1-(prop-2-enyldisulfanyl)propane (CID 16591) is 1-(prop-2-enyldisulfanyl)propane.
What is the SMILES notation for 1-(prop-2-enyldisulfanyl)propane?
The canonical SMILES for 1-(prop-2-enyldisulfanyl)propane is C=CCSSCCC.
What is the InChIKey of 1-(prop-2-enyldisulfanyl)propane?
The InChIKey is FCSSPCOFDUKHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3H,1,4-6H2,2H3.
What are the key properties of 1-(prop-2-enyldisulfanyl)propane?
1-(prop-2-enyldisulfanyl)propane has a molecular weight of 148.30 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enyldisulfanyl)propane is sourced from PubChem (CID 16591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).