Basic information
- CAS
695222-35-6- Standard SMILES
CCn1c2ccc(C)cc2c2n[nH]c(=S)nc21- InChIKey
DAKIBQUGTDRBTN-UHFFFAOYSA-N- Molecular formula
- C12H12N4S
- Average molar mass
- 244.32 g/mol
- Monoisotopic mass
- 244.07826757
Names & identifiers
- Preferred name
- 5-ethyl-8-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
- IUPAC
- 5-ethyl-8-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
- English name
- 5-ethyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl hydrosulfide
- Molecular formula
- C12H12N4S
- Molecular weight
- 244.32
Names & synonyms
695222-35-65-ethyl-8-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione9-Ethyl-6-methyl-9H-1,3,4,9-tetraaza-fluorene-2-thiol5-ethyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl hydrosulfide5-ethyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiolDAKIBQUGTDRBTN-UHFFFAOYSA-NMLS001206782CHEMBL1533659SCHEMBL20254573DTXSID701333671HMS2844B19STK107288
Show more names
3H-1,2,4-Triazino[5,6-b]indole-3-thione, 5-ethyl-2,5-dihydro-8-methyl-
AKOS000634433CCG-276685SMR000523958ST4095031AP-355/434787075-ethyl-8-methyl-1,2,4-triazino[5,6-b]indole-3-thiol9H-1,3,4,9-Tetraazafluorene-2-thiol, 9-ethyl-6-methyl-5-Ethyl-8-methyl-2,5-dihydro-3H-[1,2,4]triazino[5,6-b]indole-3-thione
Database identifiers
- CAS
695222-35-6- PubChem CID
- 718205
- DTXSID
DTXSID701333671- ChEMBL
CHEMBL1533659
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 415
Experimental & physicochemical properties
Solubility4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 435 · 435.0±37.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 8.81 · 8.81±0.20(Predicted)
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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