| CAS Number | 99180-11-7 |
| Catalog Number | AG006PDO(AGN-PC-0NB5YL) |
| Chemical Name | 2-(S-Ethylthiomethyl)-1-bromobenzene |
| IUPAC Name | 1-bromo-2-(ethylsulfanylmethyl)benzene |
| InChI | InChI=1S/C9H11BrS/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6H,2,7H2,1H3 |
| InChI Key | URXHDNUHHLLHPJ-UHFFFAOYSA-N |
| MDL Number | MFCD14644600 |
| Molecular Formula | C9H11BrS |
| Molecular Weight | 231.1526 |
| SMILES | CCSCc1ccccc1Br |
| Synonyms | 2-(S-Ethylthiomethyl)-1-bromobenzene,
99180-11-7,
(2-Bromobenzyl)(ethyl)sulfane,
ACMC-209sbv,
C9H11BrS,
2-Bromobenzylethyl sulfide,
CTK5I0266,
DTXSID80445415,
ANW-40985,
MFCD14644600,
ZINC34506163,
AKOS008951131,
2-(S-ethyl thiomethyl)-1-bromobenzene,
1-bromo-2-[(ethylsulfanyl)methyl]benzene,
TR-038650,
V9925,
J3.599.496C,
B-1297,
I01-11360,
1-bromo-2-(ethylsulfanylmethyl)benzene,
CID10823393,
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| 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 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number