AC1L7KS5
2-[[4-(1-carboxy-3-methylsulfanylpropyl)iminocyclohexa-2,5-dien-1-ylidene]amino]-4-methylsulfanylbutanoic acid
Also Known As: 2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}bis[4-(methylsulfanyl)butanoic acid]|2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)azanylylidene]}bis[4-(methylsulfanyl)butanoic acid]|2-[[4-(1-Carboxy-3-methylsulfanylpropyl)iminocyclohexa-2,5-dien-1-ylidene]amino]-4-methylsulfanylbutanoic acid|2-[[4-(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)iminocyclohexa-2,5-dien-1-ylidene]amino]-4-methylsulfanylbutanoic acid
| Molecular Formula | C16H22N2O4S2 |
|---|---|
| Molecular Weight | 370.1021 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 370.1021 |
| Monoisotopic Mass | 370.1021 |
| Heavy Atoms | 24 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 76451-05-3 |
|---|---|
| SMILES | CSCCC(C(=O)O)N=C1C=CC(=NC(CCSC)C(=O)O)C=C1 |
| InChIKey | DGSKYXIWXFJVNW-UHFFFAOYSA-N |
Product Overview
AC1L7KS5 (CAS 76451-05-3), with molecular formula C16H22N2O4S2 and molecular weight 370.1021 g/mol. IUPAC: 2-[[4-(1-carboxy-3-methylsulfanylpropyl)iminocyclohexa-2,5-dien-1-ylidene]amino]-4-methylsulfanylbutanoic acid.