| CAS Number | 854468-08-9 |
| Catalog Number | AG00G7TA(AGN-PC-02NHJL) |
| Chemical Name | 1-(Thiophen-3-yl)butan-1-one |
| IUPAC Name | 1-thiophen-3-ylbutan-1-one |
| InChI | InChI=1S/C8H10OS/c1-2-3-8(9)7-4-5-10-6-7/h4-6H,2-3H2,1H3 |
| InChI Key | BBHQDWLWFUEEIA-UHFFFAOYSA-N |
| MDL Number | MFCD12153310 |
| Molecular Formula | C8H10OS |
| Molecular Weight | 154.2294 |
| SMILES | CCCC(C1=CSC=C1)=O |
| Synonyms | 1-(thiophen-3-yl)butan-1-one,
854468-08-9,
1-Butanone, 1-(3-thienyl)-,
SCHEMBL828010,
1-Thiophen-3-yl-butan-1-one,
BBHQDWLWFUEEIA-UHFFFAOYSA-N,
ZINC37464048,
AKOS010015937,
NE15429,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.227g/mol |
| Monoisotopic Mass | 154.045g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number