AC1NABGO
methyl 3-[(3-amino-10,12-diphenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]propanoate
Also Known As: methyl 3-((4-amino-6,8-diphenyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate|methyl 3-[(4-amino-6,8-diphenyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate
CAS: 836631-56-2
| Molecular Formula | C25H23N3O2S3 |
|---|---|
| Molecular Weight | 493.09525 g/mol |
| LogP | 6.0487 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.09525 |
| Monoisotopic Mass | 493.09525 |
| Heavy Atoms | 33 |
| Complexity | 1278.5566 |
Chemical Identifiers
| CAS Number | 836631-56-2 |
|---|---|
| SMILES | COC(=O)CCSC1=NC(=C2C3=C(C(SC(C3)C4=CC=CC=C4)C5=CC=CC=C5)SC2=N1)N |
Product Overview
AC1NABGO (CAS 836631-56-2), with molecular formula C25H23N3O2S3 and molecular weight 493.09525 g/mol. IUPAC: methyl 3-[(3-amino-10,12-diphenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]propanoate.
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.
View MSDS →
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