| CAS Number | 83705-51-5 |
| Catalog Number | AG019S7E(AGN-PC-00L0GL) |
| Chemical Name | 1-Bromo-3-(ethylsulfanyl)propane |
| IUPAC Name | 1-bromo-3-ethylsulfanylpropane |
| InChI | InChI=1S/C5H11BrS/c1-2-7-5-3-4-6/h2-5H2,1H3 |
| InChI Key | DIJPDNNMOKTSII-UHFFFAOYSA-N |
| MDL Number | MFCD12172046 |
| Molecular Formula | C5H11BrS |
| Molecular Weight | 183.1098 |
| SMILES | CCSCCCBr |
| Synonyms | 1-bromo-3-(ethylsulfanyl)propane,
83705-51-5,
1-bromo-3-ethylsulfanyl-propane,
SCHEMBL15955896,
ZINC35321651,
AKOS009481097,
NE49932,
EN300-92048,
|
| Complexity | 31.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.107g/mol |
| Monoisotopic Mass | 181.976g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number