Ebrotidine
N-(4-bromophenyl)sulfonyl-N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide
| Molecular Formula | C14H17BrN6O2S3 |
|---|---|
| Molecular Weight | 477.4 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 198.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 475.97586 |
| Heavy Atoms | 26 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 100981-43-9 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)NC=NCCSCC2=CSC(=N2)N=C(N)N)Br |
| InChIKey | ZQHFZHPUZXNPMF-UHFFFAOYSA-N |
📖 Product Overview
Ebrotidine (CAS: 100981-43-9) is a chemical compound with molecular formula C14H17BrN6O2S3 and molecular weight 477.4 g/mol. Its IUPAC systematic name is N-(4-bromophenyl)sulfonyl-N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide.
ZQHFZHPUZXNPMF-UHFFFAOYSA-N.
SMILES: C1=CC(=CC=C1S(=O)(=O)NC=NCCSCC2=CSC(=N2)N=C(N)N)Br.
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