| CAS Number | 69082-95-7 |
| Catalog Number | AG005L8H(AGN-PC-035ZKK) |
| Chemical Name | 5-(Methylsulfanyl)pentanoic acid |
| IUPAC Name | 5-methylsulfanylpentanoic acid |
| InChI | InChI=1S/C6H12O2S/c1-9-5-3-2-4-6(7)8/h2-5H2,1H3,(H,7,8) |
| InChI Key | ANODPCBOJOJJDK-UHFFFAOYSA-N |
| MDL Number | MFCD12823554 |
| Molecular Formula | C6H12O2S |
| Molecular Weight | 148.2233 |
| SMILES | CSCCCCC(O)=O |
| Synonyms | 5-(methylsulfanyl)pentanoic acid,
69082-95-7,
5-(methylthio)Pentanoic acid,
Pentanoic acid, 5-(methylthio)-,
SCHEMBL2554930,
CTK1J1467,
DTXSID90610859,
ZINC14589132,
AKOS010252580,
MCULE-4498129620,
NE15583,
DA-04218,
FT-0712919,
EN300-83242,
A1-03551,
Z1270400006,
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| Complexity | 83.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.22g/mol |
| Monoisotopic Mass | 148.056g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number