Basic information
- CAS
19378-51-9- Standard SMILES
CCCCSCCC=O- InChIKey
QUTRYMHYEIGSRX-UHFFFAOYSA-N- Molecular formula
- C7H14OS
- Average molar mass
- 146.25 g/mol
- Monoisotopic mass
- 146.07653624
Names & identifiers
- Preferred name
- 3-(Butylthio)propionaldehyde
- IUPAC
- 3-butylsulfanylpropanal
- English name
- 3-(butylthio)propionaldehyde
- Molecular formula
- C7H14OS
- Molecular weight
- 146.25
Names & synonyms
3-(Butylthio)propionaldehyde19378-51-93-butylsulfanylpropanalpropanal, 3-(butylthio)-3-(Butylthio)propanal3-(butylsulfanyl)propanal3-butylthiopropanalEINECS 243-007-6SSA8U3AC4Pbeta-(n-butylmercapto)propanalSCHEMBL10774839SCHEMBL11566656
Show more names
BUTH-004
DTXSID80172991beta-n-butylmercaptopropionaldehydeAKOS005068172NS00026311
Database identifiers
- CAS
19378-51-9- PubChem CID
- 88030
- DTXSID
DTXSID80172991- UNII
- SSA8U3AC4P
- EC Number
- 243-007-6
- Nikkaji
- J242.790G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 63.9
Physicochemical properties
- LogP
- 1.964 · 1.964 (est)
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
2 records
Compound notes
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