Basic information
- CAS
20582-83-6- Standard SMILES
C=CCCSC- InChIKey
KTYYHDZDBJAYQT-UHFFFAOYSA-N- Molecular formula
- C5H10S
- Average molar mass
- 102.2 g/mol
- Monoisotopic mass
- 102.05032149
Names & identifiers
- Preferred name
- 4-(Methylsulfanyl)but-1-ene
- IUPAC
- 4-methylsulfanylbut-1-ene
Names & synonyms
4-(METHYLSULFANYL)BUT-1-ENE20582-83-64-(Methylthio)-1-buteneCH3SCH2CH2CH=CH21-Butene, 4-(methylthio)-but-3-enyl methyl sulfide3-Butenyl methyl sulfide #SCHEMBL1016660SCHEMBL1016661SCHEMBL1454581SCHEMBL2554942SCHEMBL13123545
Show more names
SCHEMBL15741515DTXSID30338323KTYYHDZDBJAYQT-UHFFFAOYSA-NAKOS015898809EN300-1827925
Database identifiers
- CAS
20582-83-6- PubChem CID
- 548387
- DTXSID
DTXSID30338323- Nikkaji
- J501.537E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 32.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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