1-(Thiophen-3-yl)propan-2-one
Basic information
- CAS
62119-77-1- Standard SMILES
CC(=O)Cc1ccsc1- InChIKey
CBKDLNBMOXQRLZ-UHFFFAOYSA-N- Molecular formula
- C7H8OS
- Average molar mass
- 140.2 g/mol
- Monoisotopic mass
- 140.02958605
Names & identifiers
- Preferred name
- 1-(Thiophen-3-yl)propan-2-one
- IUPAC
- 1-thiophen-3-ylpropan-2-one
- English name
- 1-Thiophen-3-yl-propan-2-one
- Molecular formula
- C7H8OS
- Molecular weight
- 140.2
Names & synonyms
1-(thiophen-3-yl)propan-2-oneRefChem:428766964-249-562119-77-11-(3-thienyl)-2-propanone1-THIOPHEN-3-YL-2-OXO-PROPANE1-Thiophen-3-yl-propan-2-one1-thiophen-3-ylpropan-2-oneMFCD098345751-(3-thienyl)propan-2-one3-acetonylthiopheneSCHEMBL8075614
Show more names
2-Propanone, 1-(3-thienyl)-3-(2-Ketopropyl)-thiophene
SCHEMBL8075617SCHEMBL90765262-Propanone, 1-(3-thienyl)SCHEMBL28039102SCHEMBL28039110SCHEMBL28039179DTXSID30336208CBKDLNBMOXQRLZ-UHFFFAOYSA-N
Database identifiers
- CAS
62119-77-1- PubChem CID
- 529949
- DTXSID
DTXSID30336208- EC Number
- 964-249-5
- Nikkaji
- J919.296D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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