AC1NKFTO
3-(7,14-dimethyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)propanoic acid
Also Known As: 3-(5,10-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid|3-(5,10-dimethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid
CAS: 896818-01-2
| Molecular Formula | C16H18N4O2S |
|---|---|
| Molecular Weight | 330.11505 g/mol |
| LogP | 2.78942 |
| Topological Polar Surface Area | 80.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.11505 |
| Monoisotopic Mass | 330.11505 |
| Heavy Atoms | 23 |
| Complexity | 927.3362 |
Chemical Identifiers
| CAS Number | 896818-01-2 |
|---|---|
| SMILES | CC1CCC2=C(C1)C3=C(S2)N=C(N4C3=NC(=N4)CCC(=O)O)C |
Product Overview
AC1NKFTO (CAS 896818-01-2), with molecular formula C16H18N4O2S and molecular weight 330.11505 g/mol. IUPAC: 3-(7,14-dimethyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)propanoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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