| CAS Number | 411229-63-5 |
| Catalog Number | AG003E4U(AGN-PC-0NLBBB) |
| Chemical Name | 1-Bromo-4-cyclopropylthiobenzene |
| IUPAC Name | 1-bromo-4-cyclopropylsulfanylbenzene |
| InChI | InChI=1S/C9H9BrS/c10-7-1-3-8(4-2-7)11-9-5-6-9/h1-4,9H,5-6H2 |
| InChI Key | BIVPXDHUZDKZKC-UHFFFAOYSA-N |
| MDL Number | MFCD12546532 |
| Molecular Formula | C9H9BrS |
| Molecular Weight | 229.1368 |
| SMILES | BrC1=CC=C(SC2CC2)C=C1 |
| Synonyms | 411229-63-5,
(4-bromophenyl)(cyclopropyl)sulfane,
1-Bromo-4-cyclopropylthiobenzene,
1-Bromo-4-(cyclopropylsulfanyl)benzene,
SCHEMBL1745003,
CTK8B1657,
DTXSID40625135,
BIVPXDHUZDKZKC-UHFFFAOYSA-N,
ANW-29569,
MFCD12546532,
ZINC38537784,
1-bromo-4-cyclopropylsulfanyl-benzene,
AKOS005215787,
FT-0754555,
K-8718,
|
| Complexity | 126 |
| 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