9,10-Dithia-2,3,6,7-tetraaza-anthracene-1,5-diol
Basic information
- CAS
13617-04-4- Standard SMILES
O=c1[nH]ncc2c1Sc1cn[nH]c(=O)c1S2- InChIKey
PJDYCMFGNTUVHP-UHFFFAOYSA-N- Molecular formula
- C8H4N4O2S2
- Average molar mass
- 252.3 g/mol
- Monoisotopic mass
- 251.97756773
Names & identifiers
- Preferred name
- 9,10-Dithia-2,3,6,7-tetraaza-anthracene-1,5-diol
- IUPAC
- 2,9-dithia-5,6,12,13-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),6,13-tetraene-4,11-dione
Names & synonyms
13617-04-4P7JJ6VGU3C9,10-Dithia-2,3,6,7-tetraaza-anthracene-1,5-diolUNII-P7JJ6VGU3CNSC 69004NSC-69004DTXSID60159725P-DITHIINO(2,3-D:5,6-D')DIPYRIDAZINE-1,6(2H,7H)-DIONERefChem:107520DTXCID2082216NSC69004[1,4]dithiino[2,3-d:5,6-d']dipyridazine-1,6(2h,7h)-dione
Show more names
NCIOpen2_003248[?]-3,3-diolCHEMBL4069907
Database identifiers
- CAS
13617-04-4- PubChem CID
- 250016
- DTXSID
DTXSID60159725- ChEMBL
CHEMBL4069907- UNII
- P7JJ6VGU3C
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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