8-methyl-N'-(4-methylbenzoyl)-8H-thieno[2,3-b]indole-2-carbohydrazide
Basic information
- CAS
477855-85-9- Standard SMILES
Cc1ccc(C(=O)NNC(=O)c2cc3c4ccccc4n(C)c3s2)cc1- InChIKey
IQNJJKQVUBITSI-UHFFFAOYSA-N- Molecular formula
- C20H17N3O2S
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.10414797
Names & identifiers
- Preferred name
- 8-methyl-N'-(4-methylbenzoyl)-8H-thieno[2,3-b]indole-2-carbohydrazide
- IUPAC
- 4-methyl-N'-(4-methylbenzoyl)thieno[2,3-b]indole-2-carbohydrazide
- English name
- 8-Methyl-N'-(4-methylbenzoyl)-8H-thieno[2,3-b]indole-2-carbohydrazide
- Molecular formula
- C20H17N3O2S
- Molecular weight
- 363.43
Names & synonyms
477855-85-98-methyl-N'-(4-methylbenzoyl)-8H-thieno[2,3-b]indole-2-carbohydrazide4-methyl-N'-{8-methyl-8H-thieno[2,3-b]indole-2-carbonyl}benzohydrazide4-methyl-N'-(4-methylbenzoyl)thieno[2,3-b]indole-2-carbohydrazideBionet1_003387HMS578F09DTXSID601137272MFCD01814663AKOS00507876211N-399S8-Methyl-8H-thieno[2,3-b]indole-2-carboxylic acid 2-(4-methylbenzoyl)hydrazide8H-Thieno[2,3-b]indole-2-carboxylic acid, 8-methyl-, 2-(4-methylbenzoyl)hydrazide
Database identifiers
- CAS
477855-85-9- PubChem CID
- 1474940
- DTXSID
DTXSID601137272
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 549
Physicochemical properties
- Boiling point
- 605 · 605.0±55.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 10.93 · 10.93±0.43(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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