Basic information
- CAS
89534-22-5- Standard SMILES
CSCCCC(C)=O- InChIKey
HCUNIMILPJJQES-UHFFFAOYSA-N- Molecular formula
- C6H12OS
- Average molar mass
- 132.23 g/mol
- Monoisotopic mass
- 132.06088618
Names & identifiers
- Preferred name
- 5-(Methylsulfanyl)pentan-2-one
- IUPAC
- 5-methylsulfanylpentan-2-one
- English name
- 2-Pentanone, 5-(methylthio)- (7CI,9CI)
- Molecular formula
- C6H12OS
- Molecular weight
- 132.22388
Names & synonyms
89534-22-55-(METHYLSULFANYL)PENTAN-2-ONERefChem:531399973-292-95-(Methylthio)pentan-2-one5-methylsulfanylpentan-2-oneSCHEMBL26250792-Pentanone, 5-(methylthio)-DB-270680CS-0459306EN300-18570012-Pentanone, 5-(methylthio)- (7CI,9CI)
Database identifiers
- CAS
89534-22-5- PubChem CID
- 15733859
- EC Number
- 973-292-9
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70.9
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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