3-Methyl-1-[(3-methyl-2-buten-1-yl)thio]-2-butene
Basic information
- CAS
33049-96-6- Standard SMILES
CC(C)=CCSCC=C(C)C- InChIKey
GPAXHCWZVQHLFJ-UHFFFAOYSA-N- Molecular formula
- C10H18S
- Average molar mass
- 170.32 g/mol
- Monoisotopic mass
- 170.11292175
Names & identifiers
- Preferred name
- 3-Methyl-1-[(3-methyl-2-buten-1-yl)thio]-2-butene
- IUPAC
- 3-methyl-1-(3-methylbut-2-enylsulfanyl)but-2-ene
Names & synonyms
33049-96-63-Methyl-1-[(3-methyl-2-buten-1-yl)thio]-2-butene3-Methyl-1-((3-methyl-2-buten-1-yl)thio)-2-buteneRefChem:280598Diprenyl Sulfideprenyl sulphideBis(3-methylbut-2-en-1-yl)sulfaneSCHEMBL77550923-methyl-1-[(3-methylbut-2-en-1-yl)sulfanyl]but-2-eneDTXSID301234366
Database identifiers
- CAS
33049-96-6- PubChem CID
- 11095069
- DTXSID
DTXSID301234366- Nikkaji
- J1.039.786C
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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