4-hydrazinyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine
Basic information
- CAS
40106-59-0- Standard SMILES
NNc1ncnc2sc3c(c12)CCCCC3- InChIKey
LZEOQQZABRMORS-UHFFFAOYSA-N- Molecular formula
- C11H14N4S
- Average molar mass
- 234.32 g/mol
- Monoisotopic mass
- 234.09391764
Names & identifiers
- Preferred name
- 4-hydrazinyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine
- IUPAC
- 8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-ylhydrazine
- English name
- 4-Hydrazino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine
- Molecular formula
- C11H14N4S
- Molecular weight
- 234.32
Names & synonyms
40106-59-04-hydrazinyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine4-Hydrazino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-ylhydrazineZINC04863320Oprea1_309116DTXSID40401198BDBM150753AKOS000805676SR-01000030574SR-01000030574-1Z56806325
Show more names
(6,7,8,9-Tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulen-4-yl)-hydrazine5H-CYCLOHEPTA[4,5]THIENO[2,3-D]PYRIMIDINE, 4-HYDRAZINO-6,7,8,9-TETRAHYDRO-5H-Cyclohepta[4,5]thieno[2,3-d]pyrimidine, 4-hydrazinyl-6,7,8,9-tetrahydro-3-HYDRAZINYL-8-THIA-4,6-DIAZATRICYCLO[7.5.0.0,TETRADECA-1(9),2,4,6-TETRAENE
4-hydrazino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine (A1)
Database identifiers
- CAS
40106-59-0- PubChem CID
- 4248097
- DTXSID
DTXSID40401198
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 468 · 468.0±55.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- 3.01 · 3.01±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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