Thieno(3,4-d)thiepin
Basic information
- CAS
327-25-3- Standard SMILES
C1=Cc2cscc2C=CS1- InChIKey
FRZLBIQZZDYWPG-UHFFFAOYSA-N- Molecular formula
- C8H6S2
- Average molar mass
- 166.3 g/mol
- Monoisotopic mass
- 165.99109254
Names & identifiers
- Preferred name
- Thieno(3,4-d)thiepin
- IUPAC
- thieno[3,4-d]thiepine
Names & synonyms
Thieno[3,4-d]thiepinThieno(3,4-d)thiepin327-25-3DTXSID10186364RefChem:189381DTXCID20108855thieno[3,4-d]thiepine
Database identifiers
- CAS
327-25-3- PubChem CID
- 136163
- DTXSID
DTXSID10186364- Nikkaji
- J1.796.846G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 154
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
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Related reactions
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Compound notes
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