| CAS Number | 883443-16-1 |
| Catalog Number | AG00IF1V(AGN-PC-0A6SUE) |
| Chemical Name | 1-Bromo-3-propylsulfanylbenzene |
| IUPAC Name | 1-bromo-3-propylsulfanylbenzene |
| InChI | InChI=1S/C9H11BrS/c1-2-6-11-9-5-3-4-8(10)7-9/h3-5,7H,2,6H2,1H3 |
| InChI Key | QARXAUVHMLYHJH-UHFFFAOYSA-N |
| MDL Number | MFCD20040719 |
| Molecular Formula | C9H11BrS |
| Molecular Weight | 231.1526 |
| SMILES | C1(Br)C=CC=C(SCCC)C=1 |
| Synonyms | 1-Bromo-3-propylsulfanylbenzene,
883443-16-1,
1-Bromo-3-(propylthio)benzene,
SCHEMBL1368207,
QARXAUVHMLYHJH-UHFFFAOYSA-N,
1-Bromo-3-n-propylsulfanylbenzene,
Benzene, 1-bromo-3-(propylthio)-,
ZINC95915337,
1-BROMO-3-(PROPYLSULFANYL)BENZENE,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.151g/mol |
| Monoisotopic Mass | 229.976g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number