| CAS Number | 1248980-51-9 |
| Catalog Number | AG000MUT(AGN-PC-0WRAF2) |
| Chemical Name | 2-(S-Propylthiomethyl)-1-bromobenzene |
| IUPAC Name | 1-bromo-2-(propylsulfanylmethyl)benzene |
| InChI | InChI=1S/C10H13BrS/c1-2-7-12-8-9-5-3-4-6-10(9)11/h3-6H,2,7-8H2,1H3 |
| InChI Key | OLCUZCFMPXOVMU-UHFFFAOYSA-N |
| MDL Number | MFCD14644611 |
| Molecular Formula | C10H13BrS |
| Molecular Weight | 245.1792 |
| SMILES | CCCSCc1ccccc1Br |
| Synonyms | 2-(S-Propylthiomethyl)-1-bromobenzene,
1248980-51-9,
(2-Bromobenzyl)(propyl)sulfane,
ACMC-209atc,
1-BROMO-2-[(PROPYLSULFANYL)METHYL]BENZENE,
CTK4B4104,
DTXSID10681102,
ANW-18286,
MFCD14644611,
ZINC42205763,
AKOS008954213,
Benzene, 1-bromo-2-[(propylthio)methyl]-,
TC-107031,
Z8838,
B-2384,
I01-11408,
C10H13BrS,
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| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.178g/mol |
| Monoisotopic Mass | 243.992g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number