Basic information
- CAS
29519-79-7- Standard SMILES
O=c1c2ccccc2nnn1CSCn1nnc2ccccc2c1=O- InChIKey
BBXVQRDDKLPSJM-UHFFFAOYSA-N- Molecular formula
- C16H12N6O2S
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.07424482
Names & identifiers
- Preferred name
- 1,2,3-Benzotriazin-4(3H)-one, 3,3'-(thiodimethylene)bis-
- IUPAC
- 3-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanylmethyl]-1,2,3-benzotriazin-4-one
Names & synonyms
29519-79-73,3'-(Thiobis(methylene))bis(benzo[d][1,2,3]triazin-4(3H)-one)DTXSID40952019BBXVQRDDKLPSJM-UHFFFAOYSA-N1,2,3-Benzotriazin-4(3H)-one, 3,3'-(thiodimethylene)bis-3,3'-[Sulfanediylbis(methylene)]di(1,2,3-benzotriazin-4(3H)-one)
Database identifiers
- CAS
29519-79-7- PubChem CID
- 190293
- DTXSID
DTXSID40952019
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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