| CAS Number | 523981-55-7 |
| Catalog Number | AG00I9DI(AGN-PC-0KGNRZ) |
| Chemical Name | 1-[(5-bromothien-2-yl)methyl]piperazine |
| IUPAC Name | 1-[(5-bromothiophen-2-yl)methyl]piperazine |
| InChI | InChI=1S/C9H13BrN2S/c10-9-2-1-8(13-9)7-12-5-3-11-4-6-12/h1-2,11H,3-7H2 |
| InChI Key | STQKVDLGECMYRM-UHFFFAOYSA-N |
| MDL Number | MFCD05189252 |
| Molecular Formula | C9H13BrN2S |
| Molecular Weight | 261.1819 |
| SMILES | BrC1SC(CN2CCNCC2)=CC=1 |
| Synonyms | 1-[(5-bromothien-2-yl)methyl]piperazine,
1-[(5-bromothiophen-2-yl)methyl]piperazine,
523981-55-7,
MLS000567661,
AC1M6TND,
AC1Q24VI,
CHEMBL1493839,
CTK5I7863,
HMS1719F20,
HMS2307G10,
MFCD05189252,
ZINC19803781,
AKOS000199728,
MCULE-2908944188,
NE21684,
SMR000154209,
1-(5-Bromo-thiophen-2-ylmethyl)-piperazine,
BB 0249465,
EN300-11617,
CID2455007,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.181g/mol |
| Monoisotopic Mass | 259.998g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number