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

C6H10S2 — CID 16590

IUPAC3-(prop-2-enyldisulfanyl)prop-1-ene
SMILESC=CCSSCC=C
InChIInChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2
InChIKeyPFRGXCVKLLPLIP-UHFFFAOYSA-N
MW146.28 g/mol
LogP2.74
Rot. Bonds5

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

3-(prop-2-enyldisulfanyl)prop-1-ene (PubChem CID 16590) has the molecular formula C6H10S2 and a molecular weight of 146.28 g/mol. Its IUPAC name is 3-(prop-2-enyldisulfanyl)prop-1-ene.

Molecular Properties

Compound Name3-(prop-2-enyldisulfanyl)prop-1-ene
PubChem CID16590
Molecular FormulaC6H10S2
Molecular Weight146.28 g/mol
Exact Mass146.02
IUPAC Name3-(prop-2-enyldisulfanyl)prop-1-ene
SMILESC=CCSSCC=C
InChIInChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2
InChIKeyPFRGXCVKLLPLIP-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.28
LogP ≤ 52.74
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

Allyl propyl disulfide
CID 16591
Diallyl Trisulfide
CID 16315
Allyl methyl disulfide
CID 62434
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
Propenyl propyl disulfide
CID 5352908

Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-enyldisulfanyl)prop-1-ene?
The IUPAC name of 3-(prop-2-enyldisulfanyl)prop-1-ene (CID 16590) is 3-(prop-2-enyldisulfanyl)prop-1-ene.
What is the SMILES notation for 3-(prop-2-enyldisulfanyl)prop-1-ene?
The canonical SMILES for 3-(prop-2-enyldisulfanyl)prop-1-ene is C=CCSSCC=C.
What is the InChIKey of 3-(prop-2-enyldisulfanyl)prop-1-ene?
The InChIKey is PFRGXCVKLLPLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of 3-(prop-2-enyldisulfanyl)prop-1-ene?
3-(prop-2-enyldisulfanyl)prop-1-ene has a molecular weight of 146.28 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enyldisulfanyl)prop-1-ene is sourced from PubChem (CID 16590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).