| CAS Number | 1152712-88-3 |
| Catalog Number | AG019QUC |
| Chemical Name | 3-Amino-1-(4-methanesulfonylphenyl)urea |
| IUPAC Name | 1-amino-3-(4-methylsulfonylphenyl)urea |
| InChI | InChI=1S/C8H11N3O3S/c1-15(13,14)7-4-2-6(3-5-7)10-8(12)11-9/h2-5H,9H2,1H3,(H2,10,11,12) |
| InChI Key | BKCDSMPGPRXRAU-UHFFFAOYSA-N |
| MDL Number | MFCD11106052 |
| Molecular Formula | C8H11N3O3S |
| Molecular Weight | 229.2562 |
| SMILES | CS(C1=CC=C(NC(NN)=O)C=C1)(=O)=O |
| Synonyms | 3-amino-1-(4-methanesulfonylphenyl)urea,
1152712-88-3,
EN300-88379,
ZINC34977795,
NE20461,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.254g/mol |
| Monoisotopic Mass | 229.052g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number