7-Methoxythieno[3,4-c]pyridine-1,3-diamine
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Basic information
- CAS
314033-46-0- Standard SMILES
COc1cncc2c(N)sc(N)c12- InChIKey
IZELVXNRXIUZSA-UHFFFAOYSA-N- Molecular formula
- C8H9N3OS
- Average molar mass
- 195.24 g/mol
- Monoisotopic mass
- 195.04663309
Names & identifiers
- Preferred name
- 7-Methoxythieno[3,4-c]pyridine-1,3-diamine
- IUPAC
- 7-methoxythieno[3,4-c]pyridine-1,3-diamine
- English name
- 2,6-Benzothiazolediamine,4-methoxy-(9CI)
- Molecular formula
- C8H9N3OS
- Molecular weight
- 195.24
Names & synonyms
7-Methoxythieno[3,4-c]pyridine-1,3-diamine314033-46-02,6-Benzothiazolediamine,4-methoxy-(9CI)CS-03592612,6-Benzothiazolediamine, 4-methoxy-
Database identifiers
- CAS
314033-46-0- PubChem CID
- 45077088
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 440.8 · 440.8±48.0 °C(Predicted)
- Density
- 1.448 · 1.448±0.06 g/cm3(Predicted)
- pka
- 5.93 · 5.93±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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