| CAS Number | 35120-14-0 |
| Catalog Number | AG01B8XV(AGN-PC-02TC71) |
| Chemical Name | 1-(Methylsulfanyl)cyclopropane-1-carbaldehyde |
| IUPAC Name | 1-methylsulfanylcyclopropane-1-carbaldehyde |
| InChI | InChI=1S/C5H8OS/c1-7-5(4-6)2-3-5/h4H,2-3H2,1H3 |
| InChI Key | STDVRFVMIDYUSW-UHFFFAOYSA-N |
| MDL Number | MFCD24674559 |
| Molecular Formula | C5H8OS |
| Molecular Weight | 116.1814 |
| SMILES | CSC1(C=O)CC1 |
| Synonyms | 1-(methylsulfanyl)cyclopropane-1-carbaldehyde,
35120-14-0,
SCHEMBL8858474,
ZINC148328724,
|
| Complexity | 86.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 116.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 116.178g/mol |
| Monoisotopic Mass | 116.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number