2-(S-Cyclopentylthiomethyl)-1-bromobenzene - CAS 1309978-20-8
Catalog: |
BB062638 |
Product Name: |
2-(S-Cyclopentylthiomethyl)-1-bromobenzene |
CAS: |
1309978-20-8 |
Synonyms: |
2-(S-Cyclopentylthiomethyl)-1-bromobenzene; 1-bromo-2-(cyclopentylsulfanylmethyl)benzene; (2-Bromobenzyl)(cyclopentyl)sulfane; 1-Bromo-2-[(cyclopentylsulfanyl)methyl]benzene |
IUPAC Name: | 1-bromo-2-(cyclopentylsulfanylmethyl)benzene |
Description: | 2-(S-Cyclopentylthiomethyl)-1-bromobenzene |
Molecular Weight: | 271.22 |
Molecular Formula: | C12H15BrS |
Canonical SMILES: | C1CCC(C1)SCC2=CC=CC=C2Br |
InChI: | InChI=1S/C12H15BrS/c13-12-8-4-1-5-10(12)9-14-11-6-2-3-7-11/h1,4-5,8,11H,2-3,6-7,9H2 |
InChI Key: | REXVPYWEJRLLSN-UHFFFAOYSA-N |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.00778 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.00778 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 25.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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