| CAS Number | 1001907-63-6 |
| Catalog Number | AG01C5N8 |
| Chemical Name | 2-{1-[(methylsulfanyl)methyl]cyclopropyl}acetic acid |
| IUPAC Name | 2-[1-(methylsulfanylmethyl)cyclopropyl]acetic acid |
| InChI | InChI=1S/C7H12O2S/c1-10-5-7(2-3-7)4-6(8)9/h2-5H2,1H3,(H,8,9) |
| InChI Key | XGTQTJSLMMWRBH-UHFFFAOYSA-N |
| MDL Number | MFCD21235961 |
| Molecular Formula | C7H12O2S |
| Molecular Weight | 160.2340 |
| SMILES | O=C(O)CC1(CSC)CC1 |
| Synonyms | 2-{1-[(methylsulfanyl)methyl]cyclopropyl}acetic acid,
1001907-63-6,
SCHEMBL9926886,
ZINC83827911,
AKOS014781110,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.231g/mol |
| Monoisotopic Mass | 160.056g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number