1-(methyltrisulfanyl)prop-1-ene

C4H8S3 — CID 528712

IUPAC1-(methyltrisulfanyl)prop-1-ene
SMILESCC=CSSSC
InChIInChI=1S/C4H8S3/c1-3-4-6-7-5-2/h3-4H,1-2H3
InChIKeyWPRUFZZPIFLBDG-UHFFFAOYSA-N
MW152.31 g/mol
LogP3.18
Rot. Bonds3

About 1-(methyltrisulfanyl)prop-1-ene

1-(methyltrisulfanyl)prop-1-ene (PubChem CID 528712) has the molecular formula C4H8S3 and a molecular weight of 152.31 g/mol. Its IUPAC name is 1-(methyltrisulfanyl)prop-1-ene.

Molecular Properties

Compound Name1-(methyltrisulfanyl)prop-1-ene
PubChem CID528712
Molecular FormulaC4H8S3
Molecular Weight152.31 g/mol
Exact Mass151.98
IUPAC Name1-(methyltrisulfanyl)prop-1-ene
SMILESCC=CSSSC
InChIInChI=1S/C4H8S3/c1-3-4-6-7-5-2/h3-4H,1-2H3
InChIKeyWPRUFZZPIFLBDG-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

Diallyl Disulfide
CID 16590
Allyl propyl disulfide
CID 16591
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
Di-1-propenyl sulfide
CID 5370448
Allyl methyl tetrasulfide
CID 525329
Diallyl hexasulfide
CID 9882013
Di-2-propenyl heptasulfide
CID 53854515

Frequently Asked Questions

What is the IUPAC name of 1-(methyltrisulfanyl)prop-1-ene?
The IUPAC name of 1-(methyltrisulfanyl)prop-1-ene (CID 528712) is 1-(methyltrisulfanyl)prop-1-ene.
What is the SMILES notation for 1-(methyltrisulfanyl)prop-1-ene?
The canonical SMILES for 1-(methyltrisulfanyl)prop-1-ene is CC=CSSSC.
What is the InChIKey of 1-(methyltrisulfanyl)prop-1-ene?
The InChIKey is WPRUFZZPIFLBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S3/c1-3-4-6-7-5-2/h3-4H,1-2H3.
What are the key properties of 1-(methyltrisulfanyl)prop-1-ene?
1-(methyltrisulfanyl)prop-1-ene has a molecular weight of 152.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methyltrisulfanyl)prop-1-ene is sourced from PubChem (CID 528712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).