| CAS Number | 190852-38-1 |
| Catalog Number | AG002EUZ(AGN-PC-09YWDD) |
| Chemical Name | Methanesulfonothioic acid, S-decyl ester |
| IUPAC Name | 1-methylsulfonylsulfanyldecane |
| InChI | InChI=1S/C11H24O2S2/c1-3-4-5-6-7-8-9-10-11-14-15(2,12)13/h3-11H2,1-2H3 |
| InChI Key | DOBVPKYSENAWGJ-UHFFFAOYSA-N |
| MDL Number | MFCD01863373 |
| Molecular Formula | C11H24O2S2 |
| Molecular Weight | 252.4371 |
| SMILES | CCCCCCCCCCSS(=O)(=O)C |
| Synonyms | Decyl Methanethiosulfonate,
190852-38-1,
1-methylsulfonylsulfanyldecane,
AC1NQNHT,
SCHEMBL5461797,
ZINC2387152,
Methanethiosulfonic acid S-decyl ester,
Methanesulfonothioic Acid S-Decyl Ester,
Methanesulfonothioic acid, S-decyl ester,
ACM190852381,
RT-012237,
J-012331,
CID5225635,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.431g/mol |
| Monoisotopic Mass | 252.122g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number