| CAS Number | 1280786-81-3 |
| Catalog Number | AG000XRH(AGN-PC-09PZFV) |
| Chemical Name | 1-Bromo-3-cyclopropylthiobenzene |
| IUPAC Name | 1-bromo-3-cyclopropylsulfanylbenzene |
| InChI | InChI=1S/C9H9BrS/c10-7-2-1-3-9(6-7)11-8-4-5-8/h1-3,6,8H,4-5H2 |
| InChI Key | JORAQKMAPMVMTJ-UHFFFAOYSA-N |
| MDL Number | MFCD18434448 |
| Molecular Formula | C9H9BrS |
| Molecular Weight | 229.1368 |
| SMILES | Brc1cccc(c1)SC1CC1 |
| Synonyms | 1-Bromo-3-cyclopropylthiobenzene,
1280786-81-3,
(3-Bromophenyl)(cyclopropyl)sulfane,
1-Bromo-3-(cyclopropylsulfanyl)benzene,
C9H9BrS,
ACMC-209be5,
SCHEMBL2416364,
CTK8A9978,
DTXSID60682088,
JORAQKMAPMVMTJ-UHFFFAOYSA-N,
ANW-19035,
MFCD18434448,
ZINC65337255,
AKOS015888453,
Benzene, 1-bromo-3-(cyclopropylthio)-,
TC-107780,
Z9407,
A-3519,
I01-11054,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.135g/mol |
| Monoisotopic Mass | 227.961g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number