| CAS Number | 103317-32-4 |
| Catalog Number | AG008S2Z(AGN-PC-000E79) |
| Chemical Name | 2-(2-Bromophenyl)ethanethioamide |
| IUPAC Name | 2-(2-bromophenyl)ethanethioamide |
| 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 |
| MDL Number | MFCD09816252 |
| Molecular Formula | C8H8BrNS |
| Molecular Weight | 230.1248 |
| SMILES | NC(CC1=C(Br)C=CC=C1)=S |
| Synonyms | 2-(2-bromophenyl)ethanethioamide,
2-(2-Bromophenyl)thioacetamide,
103317-32-4,
(2-bromophenyl)thioacetamide,
1-amino-2-(2-bromophenyl)ethane-1-thione,
SCHEMBL5060693,
CTK7D3877,
RITRBTUNNIPGOB-UHFFFAOYSA-N,
2-(2-bromo-phenyl)-thioacetamide,
KS-00003H0V,
MFCD09816252,
SBB055186,
ZINC19388456,
AKOS000159793,
AS-5408,
MCULE-6241851818,
CJ-16118,
TR-071895,
ST50949895,
Z6609,
C8H8BrNS,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.123g/mol |
| Monoisotopic Mass | 228.956g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number