| CAS Number | 26728-61-0 |
| Catalog Number | AG01AGPY |
| Chemical Name | 1-[(2-Methylpropyl)sulfanyl]propan-2-one |
| IUPAC Name | 1-(2-methylpropylsulfanyl)propan-2-one |
| InChI | InChI=1S/C7H14OS/c1-6(2)4-9-5-7(3)8/h6H,4-5H2,1-3H3 |
| InChI Key | JCBCXJLZLMQZNE-UHFFFAOYSA-N |
| MDL Number | MFCD12145552 |
| Molecular Formula | C7H14OS |
| Molecular Weight | 146.2505 |
| SMILES | CC(CSCC(C)=O)C |
| Synonyms | 1-[(2-methylpropyl)sulfanyl]propan-2-one,
26728-61-0,
AC1Q1PUK,
SCHEMBL12934316,
ZINC35183311,
AKOS008906821,
NE57882,
EN300-72534,
|
| Complexity | 88.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.248g/mol |
| Monoisotopic Mass | 146.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number