Imol 881
Basic information
- CAS
134018-76-1- Standard SMILES
Nc1nc(N)nc(Nc2ccc([As]3SCC(O)C(O)CS3)cc2)n1- InChIKey
XYBCHXSLJJFHSI-UHFFFAOYSA-N- Molecular formula
- C13H17AsN6O2S2
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 428.007036
Overview
structure given in first source
Names & identifiers
- Preferred name
- Imol 881
- IUPAC
- 2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsepane-5,6-diol
- English name
- IMOL 881
- Molecular formula
- C13H17AsN6O2S2
- Molecular weight
- 428.36
Names & synonyms
Imol 881134018-76-1IMOL-881RefChem:1480362-(p-(4,6-Diamino-1,3,5-triazin-2-ylamino)phenyl)-1,3,2-dithiarsepane-5,6-diol2-(4-((4,6-Diamino-1,3,5-triazin-2-yl)amino)phenyl)-1,3,2-dithiarsepane-5,6-diolSCHEMBL9330297DTXSID409283901,3,2-Dithiarsepane-5,6-diol, 2-(4-((4,6-diamino-1,3,5-triazin-2-yl)amino)phenyl)-2-(4-(4,6-diamino-1,3,5-triazin-2-yl-amino)phenyl)-1,3,2-dithiarsepane-5,6-diol2-{4-[(4,6-Diimino-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)amino]phenyl}-1,3,2-dithiarsepane-5,6-diol1,3,2-Dithiarsepane-5,6-diol, 2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-
Database identifiers
- CAS
134018-76-1- PubChem CID
- 131702
- DTXSID
DTXSID40928390
Properties
Computed structural properties
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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