| CAS Number | 796073-55-7 |
| Catalog Number | AG005J9F(AGN-PC-00BOQ4) |
| Chemical Name | Pentanoic acid, 4-methyl-4-(methyldithio)- |
| IUPAC Name | 4-methyl-4-(methyldisulfanyl)pentanoic acid |
| InChI | InChI=1S/C7H14O2S2/c1-7(2,11-10-3)5-4-6(8)9/h4-5H2,1-3H3,(H,8,9) |
| InChI Key | GYFCEVXCVFNSCL-UHFFFAOYSA-N |
| MDL Number | MFCD20639701 |
| Molecular Formula | C7H14O2S2 |
| Molecular Weight | 194.3149 |
| SMILES | CSSC(CCC(=O)O)(C)C |
| Synonyms | 4-methyl-4-(methyldisulfanyl)pentanoic acid,
796073-55-7,
Pentanoic acid, 4-methyl-4-(methyldithio)-,
4-methyl-4-methyldisulfanyl-pentanoic Acid,
SCHEMBL932574,
CTK2F9380,
DTXSID40468660,
GYFCEVXCVFNSCL-UHFFFAOYSA-N,
4-methyl-4-(methyldithio)pentanoic acid,
4-methyl-4-(methyldisulphanyl)pentanoic acid,
CID11564634,
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| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.307g/mol |
| Monoisotopic Mass | 194.044g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 87.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number