| CAS Number | 884868-03-5 |
| Catalog Number | AG008AGK(AGN-PC-09QWDB) |
| Chemical Name | 3-(Butylthio)phenylboronic acid |
| IUPAC Name | (3-butylsulfanylphenyl)boronic acid |
| InChI | InChI=1S/C10H15BO2S/c1-2-3-7-14-10-6-4-5-9(8-10)11(12)13/h4-6,8,12-13H,2-3,7H2,1H3 |
| InChI Key | IUUFIYSSJHKAAN-UHFFFAOYSA-N |
| MDL Number | MFCD18837604 |
| Molecular Formula | C10H15BO2S |
| Molecular Weight | 210.1009 |
| SMILES | CCCCSc1cccc(c1)B(O)O |
| Synonyms | 3-(Butylthio)phenylboronic acid,
884868-03-5,
ACMC-209qtj,
3-Butylthiophenylboronic acid,
CTK8B2560,
DTXSID60693492,
ANW-39029,
FC0884,
MFCD18837604,
[3-(Butylsulfanyl)phenyl]boronic acid,
AKOS015893179,
ZINC169951602,
OR360858,
TC-127774,
V8628,
A-3172,
I04-2260,
C10H15BO2S,
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| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.098g/mol |
| Monoisotopic Mass | 210.089g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 65.8A^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