| CAS Number | 15733-07-0 |
| Catalog Number | AG00AROD(AGN-PC-0NJIG7) |
| Chemical Name | (4-Bromobenzyl)(methyl)sulfane |
| IUPAC Name | 1-bromo-4-(methylsulfanylmethyl)benzene |
| InChI | InChI=1S/C8H9BrS/c1-10-6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3 |
| InChI Key | LLPNXJABBMDPRZ-UHFFFAOYSA-N |
| MDL Number | MFCD14644264 |
| Molecular Formula | C8H9BrS |
| Molecular Weight | 217.1261 |
| SMILES | CSCC1=CC=C(Br)C=C1 |
| Synonyms | (4-bromobenzyl)(methyl)sulfane,
15733-07-0,
4-Bromobenzyl methyl sulfide,
1-bromo-4-[(methylsulfanyl)methyl]benzene,
AC1Q4HB5,
Methyl 4-bromobenzyl sulfide,
4-broMobenzyl)(Methyl)sulfane,
SCHEMBL2030465,
LLPNXJABBMDPRZ-UHFFFAOYSA-N,
1-bromo-4-methylthiomethyl-benzene,
ZINC39250540,
AKOS007959488,
AM86663,
MCULE-5205085430,
NE35243,
EN300-73390,
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| Complexity | 87.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.124g/mol |
| Monoisotopic Mass | 215.961g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number