| CAS Number | 108847-21-8 |
| Catalog Number | AG007TZ7(AGN-PC-00OMCW) |
| Chemical Name | Boronic acid, B-2-thianthrenyl- |
| IUPAC Name | thianthren-2-ylboronic acid |
| InChI | InChI=1S/C12H9BO2S2/c14-13(15)8-5-6-11-12(7-8)17-10-4-2-1-3-9(10)16-11/h1-7,14-15H |
| InChI Key | GCSOJZMPHLRBMJ-UHFFFAOYSA-N |
| MDL Number | MFCD06801664 |
| Molecular Formula | C12H9BO2S2 |
| Molecular Weight | 260.1397 |
| SMILES | B(O)(O)c1cc2c(cc1)Sc1c(S2)cccc1 |
| Synonyms | 108847-21-8,
Thianthren-2-ylboronic acid,
THIANTHREN-2-YL BORONIC ACID,
Boronic acid, 2-thianthrenyl-,
(THIANTHREN-2-YL)BORONIC ACID,
ACMC-20mbup,
SCHEMBL911259,
Thianthren-2-y1 boronic acid,
CTK0D6111,
DTXSID20570437,
THIANTHRENE-2-BORONIC ACID,
CT-279,
MFCD06801664,
AKOS030568840,
AB30027,
LS11087,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.132g/mol |
| Monoisotopic Mass | 260.014g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 91.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number