| CAS Number | 933758-02-2 |
| Catalog Number | AG019V08(AGN-PC-0WO8RU) |
| Chemical Name | 3-(Cyclopentylsulfanyl)propanoic acid |
| IUPAC Name | 3-cyclopentylsulfanylpropanoic acid |
| InChI | InChI=1S/C8H14O2S/c9-8(10)5-6-11-7-3-1-2-4-7/h7H,1-6H2,(H,9,10) |
| InChI Key | QUPXQROMKUPCMK-UHFFFAOYSA-N |
| MDL Number | MFCD09945007 |
| Molecular Formula | C8H14O2S |
| Molecular Weight | 174.2606 |
| SMILES | OC(CCSC1CCCC1)=O |
| Synonyms | 3-(cyclopentylsulfanyl)propanoic acid,
933758-02-2,
AC1Q75R7,
SCHEMBL11436132,
CTK7J4614,
ZINC19505401,
AKOS000189365,
MCULE-1998655965,
NE56118,
EN300-43355,
Z102926388,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.258g/mol |
| Monoisotopic Mass | 174.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number