Allyl methyl tetrasulfide
Basic information
- CAS
90195-83-8- Standard SMILES
C=CCSSSSC- InChIKey
BHIKXWJMZCALEK-UHFFFAOYSA-N- Molecular formula
- C4H8S4
- Average molar mass
- 184.4 g/mol
- Monoisotopic mass
- 183.95088495
Overview
1-Methyl-4-(prop-2-en-1-yl)tetrasulfane is an organosulfur compound.
Names & identifiers
- Preferred name
- Allyl methyl tetrasulfide
- IUPAC
- 3-(methyltetrasulfanyl)prop-1-ene
- English name
- Tetrasulfide, methyl 2-propenyl
- Molecular formula
- C4H8S4
- Molecular weight
- 184.37
Names & synonyms
allyl methyl tetrasulfide3-(methyltetrasulfanyl)prop-1-ene90195-83-8Methyl 2-propenyl tetrasulfide1-methyl-4-(prop-2-en-1-yl)tetrasulfaneDTXSID10335471RefChem:110880Methyl 2-propenyl tetrasulphideDTXCID602865601-Methyl-4-(prop-2-en-1-yl)tetrasulphaneBHIKXWJMZCALEK-UHFFFAOYSA-NMethyl allyl tetrasulfide
Show more names
Tetrasulfide, methyl 2-propenylTetrasulfide, methyl 2-propen-1-yl
SCHEMBL29311313-(methyltetrasulanyl)prop-1-eneCHEBI:184594NS00120393
Database identifiers
- CAS
90195-83-8- PubChem CID
- 525329
- DTXSID
DTXSID10335471- ChEBI
CHEBI:184594- Nikkaji
- J468.841D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 54
Experimental & physicochemical properties
Boiling Point267.00 °C. @ 760.00 mm Hg
Melting Point23.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Boiling point
- 261.7 · 261.7±33.0 °C(Predicted)
- Density
- 1.266 · 1.266±0.06 g/cm3(Predicted)
- LogP
- 3.211 · 3.211 (est)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Tetrasulfide, methyl 2-propenyl: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: 1-Methyl-4-(prop-2-en-1-yl)tetrasulfane is an organosulfur compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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