Basic information
- Standard SMILES
CCCC(=O)c1ccsc1- InChIKey
BBHQDWLWFUEEIA-UHFFFAOYSA-N- Molecular formula
- C8H10OS
- Average molar mass
- 154.23 g/mol
Names & identifiers
- Preferred name
- 1-(Thiophen-3-yl)butan-1-one
- IUPAC
- 1-thiophen-3-ylbutan-1-one
Names & synonyms
1-(thiophen-3-yl)butan-1-one854468-08-9RefChem:428762866-704-21-thiophen-3-ylbutan-1-oneSCHEMBL8280101-Thiophen-3-yl-butan-1-oneBBHQDWLWFUEEIA-UHFFFAOYSA-NEJB46808AKOS010015937DB-115817EN300-170778
Show more names
G49756
Database identifiers
- CAS
854468-08-9- PubChem CID
- 20158043
- EC Number
- 866-704-2
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Safety & regulation
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%)
Related reactions
9 records
Linked notes
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