Basic information
- CAS
272-15-1- Standard SMILES
c1cc2cnncc2s1- InChIKey
BECCJFVVNMJZMR-UHFFFAOYSA-N- Molecular formula
- C6H4N2S
- Average molar mass
- 136.18 g/mol
- Monoisotopic mass
- 136.00951913
Names & identifiers
- Preferred name
- Thieno[2,3-d]pyridazine
- IUPAC
- thieno[2,3-d]pyridazine
- English name
- Thieno[2,3-d]pyridazine
- Molecular formula
- C6H4N2S
- Molecular weight
- 136.17
Names & synonyms
Thieno[2,3-d]pyridazine272-15-1starbld0004064SCHEMBL659548SCHEMBL2000606SCHEMBL2003136SCHEMBL2003489SCHEMBL2004482SCHEMBL29900091DTXSID90504082BECCJFVVNMJZMR-UHFFFAOYSA-NMFCD08706439
Show more names
AKOS006290286SY507707
Database identifiers
- CAS
272-15-1- PubChem CID
- 12603003
- DTXSID
DTXSID90504082- Nikkaji
- J3.098.405F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Melting point
- 167 °C · 167 °C
- Boiling point
- 343.4 · 343.4±15.0 °C(Predicted)
- Density
- 1.368 · 1.368±0.06 g/cm3(Predicted)
- pka
- 2.36 · 2.36±0.30(Predicted)
Chemistry & industry
Suppliers2 total
上海宣月科技有限公司15216675652 · [email protected]
上海索本生物科技有限公司13023173052 · [email protected]
Related reactions
1 records
Compound notes
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