| CAS Number | 16181-14-9 |
| Catalog Number | AG01AIE2(AGN-PC-0JOP53) |
| Chemical Name | (4-bromophenyl)(2-chloroethyl)sulfane |
| IUPAC Name | 1-bromo-4-(2-chloroethylsulfanyl)benzene |
| InChI | InChI=1S/C8H8BrClS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6H2 |
| InChI Key | IFFUHWBFQAXYSI-UHFFFAOYSA-N |
| MDL Number | MFCD11641761 |
| Molecular Formula | C8H8BrClS |
| Molecular Weight | 251.5711 |
| NSC Number | 202560 |
| SMILES | BrC1=CC=C(C=C1)SCCCl |
| Synonyms | 1-bromo-4-[(2-chloroethyl)sulfanyl]benzene,
16181-14-9,
(4-Bromophenyl)(2-chloroethyl)sulfane,
NSC202560,
1-bromo-4-(2-chloroethylsulfanyl)benzene,
AC1L772Q,
DTXSID40308153,
ZINC1736473,
STL220540,
4-Bromophenyl(2-chloroethyl) sulfide,
4-bromo-1-(2-chloroethylthio)benzene,
AKOS009114947,
MCULE-1715437102,
NE54302,
NSC-202560,
ST45244360,
EN300-77535,
CID305550,
|
| Complexity | 102 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.922g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.566g/mol |
| Monoisotopic Mass | 249.922g/mol |
| Rotatable Bond Count | 3 |
| 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
Certificate of Analysis
Lot Number