1-Bromo-4-(ethylthio)benzene - CAS 30506-30-0
Catalog: |
BB020631 |
Product Name: |
1-Bromo-4-(ethylthio)benzene |
CAS: |
30506-30-0 |
Synonyms: |
1-bromo-4-(ethylthio)benzene; 1-bromo-4-ethylsulfanylbenzene |
IUPAC Name: | 1-bromo-4-ethylsulfanylbenzene |
Description: | 1-Bromo-4-(ethylthio)benzene (CAS# 30506-30-0) is a useful research chemical. |
Molecular Weight: | 217.13 |
Molecular Formula: | C8H9BrS |
Canonical SMILES: | CCSC1=CC=C(C=C1)Br |
InChI: | InChI=1S/C8H9BrS/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3 |
InChI Key: | CTFHVAKXUMMGOC-UHFFFAOYSA-N |
Boiling Point: | 259.1 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.44 g/cm3 |
Appearance: | Solid |
MDL: | MFCD01318109 |
LogP: | 3.56110 |
Publication Number | Title | Priority Date |
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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: | 215.96083 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.96083 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 25.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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