2-(2-Bromophenyl)ethanethioamide - CAS 103317-32-4
Catalog: |
BB062119 |
Product Name: |
2-(2-Bromophenyl)ethanethioamide |
CAS: |
103317-32-4 |
Synonyms: |
2-(2-bromophenyl)ethanethioamide; 2-(2-Bromophenyl)thioacetamide; 2-Bromobenzeneethanethioamide; 2-(2-bromo-phenyl)-thioacetamide |
IUPAC Name: | 2-(2-bromophenyl)ethanethioamide |
Description: | 2-(2-Bromophenyl)ethanethioamide |
Molecular Weight: | 230.13 |
Molecular Formula: | C8H8BrNS |
Canonical SMILES: | C1=CC=C(C(=C1)CC(=S)N)Br |
InChI: | InChI=1S/C8H8BrNS/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H2,10,11) |
InChI Key: | RITRBTUNNIPGOB-UHFFFAOYSA-N |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.95608 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.95608 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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