| CAS Number | 2096332-50-0 |
| Catalog Number | AG01EHD0 |
| Chemical Name | 3-(Isopropylthio)phenylboronic acid |
| IUPAC Name | (3-propan-2-ylsulfanylphenyl)boronic acid |
| InChI | InChI=1S/C9H13BO2S/c1-7(2)13-9-5-3-4-8(6-9)10(11)12/h3-7,11-12H,1-2H3 |
| InChI Key | TYMJMLLQMVIAOG-UHFFFAOYSA-N |
| MDL Number | MFCD18837605 |
| Molecular Formula | C9H13BO2S |
| Molecular Weight | 196.0743 |
| SMILES | CC(Sc1cccc(c1)B(O)O)C |
| Synonyms | 3-(Isopropylthio)phenylboronic acid,
2096332-50-0,
(3-(Isopropylthio)phenyl)boronic acid,
SCHEMBL3110223,
ZINC169951605,
Y2415,
A-3182,
C9H13BO2S,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.072931g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.08g/mol |
| Monoisotopic Mass | 196.072931g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number