| CAS Number | 89980-86-9 |
| Catalog Number | AG01A5Q2 |
| Chemical Name | [(4-bromophenyl)methyl]thiourea |
| IUPAC Name | (4-bromophenyl)methylthiourea |
| InChI | InChI=1S/C8H9BrN2S/c9-7-3-1-6(2-4-7)5-11-8(10)12/h1-4H,5H2,(H3,10,11,12) |
| InChI Key | QGVQYFXSPFPZCX-UHFFFAOYSA-N |
| MDL Number | MFCD14648215 |
| Molecular Formula | C8H9BrN2S |
| Molecular Weight | 245.1395 |
| SMILES | NC(NCC1=CC=C(Br)C=C1)=S |
| Synonyms | [(4-bromophenyl)methyl]thiourea,
89980-86-9,
1-(4-bromobenzyl)thiourea,
SCHEMBL10426536,
ZINC42240305,
NE15813,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.138g/mol |
| Monoisotopic Mass | 243.967g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number