| CAS Number | 71242-59-6 |
| Catalog Number | AG003BHS(AGN-PC-0TYR20) |
| Chemical Name | (1S)-(-)-10-MErcaptoborneol |
| IUPAC Name | (1S)-7,7-dimethyl-1-(sulfanylmethyl)bicyclo[2.2.1]heptan-2-ol |
| InChI | InChI=1S/C10H18OS/c1-9(2)7-3-4-10(9,6-12)8(11)5-7/h7-8,11-12H,3-6H2,1-2H3/t7?,8?,10-/m1/s1 |
| InChI Key | PYQMNINTTPIRIT-SFVIPPHHSA-N |
| MDL Number | MFCD02093482 |
| Molecular Formula | C10H18OS |
| Molecular Weight | 186.3143 |
| SMILES | C(S)[C@@]12C(C)(C)[C@@](C[C@@H]1O)(CC2)[H] |
| Synonyms | (1S)-1-(Mercaptomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol,
(1S)-(-)-10-Mercaptoborneol,
71242-58-5,
71242-59-6,
(1S)-(-)-10-Mercaptoisoborneol,
SCHEMBL13061792,
CTK5D3755,
DTXSID70541394,
ANW-36013,
AKOS015856663,
(S)-(-)-10-MERCAPTOBORNEOL,
KS-0000163Q,
TR-023461,
(1S)-7,7-Dimethyl-1-(sulfanylmethyl)bicyclo[2.2.1]heptan-2-ol,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.313g/mol |
| Monoisotopic Mass | 186.108g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 21.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number