AC1L7U0X
(1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile
Also Known As: (1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile|(2S,3R,10R,10aS)-10,10a-Dimethyl-1,2,3,4,10,10a-hexahydro-2,10-epithiopyrimido[1,2-a]indole-3-carbonitrile
CAS: 87708-01-8
| Molecular Formula | C14H15N3S |
|---|---|
| Molecular Weight | 257.09866 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 257.09866 |
| Monoisotopic Mass | 257.09866 |
| Heavy Atoms | 18 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 87708-01-8 |
|---|---|
| SMILES | C[C@@]12C3=CC=CC=C3N4[C@@]1(N[C@@H](S2)[C@H](C4)C#N)C |
| InChIKey | PAHSSJMZJLVBQC-WTDIUWLJSA-N |
Product Overview
AC1L7U0X (CAS 87708-01-8), with molecular formula C14H15N3S and molecular weight 257.09866 g/mol. IUPAC: (1R,10R,11S,13S)-1,13-dimethyl-14-thia-8,12-diazatetracyclo[9.2.1.02,7.08,13]tetradeca-2,4,6-triene-10-carbonitrile.
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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