Azuleno(2,1-b)thiophene

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Basic information

CAS: 248-13-5
Standard SMILES: c1ccc2cc3sccc3c-2cc1
InChIKey: JNNXZFACGNFOPF-UHFFFAOYSA-N
Molecular formula: C12H8S
Average molar mass: 184.26 g/mol
Monoisotopic mass: 184.03467143

Names & identifiers

Preferred name: Azuleno(2,1-b)thiophene
IUPAC: azuleno[2,1-b]thiophene

Names & synonyms

azuleno[2,1-b]thiopheneAzuleno(2,1-b)thiophene248-13-5DTXSID70345298RefChem:320491DTXCID70296372JNNXZFACGNFOPF-UHFFFAOYSA-NThieno[3,2-a]-azuleneSCHEMBL9749622AKOS006370483

Database identifiers

CAS: 248-13-5
PubChem CID: 603531
DTXSID: DTXSID70345298
Nikkaji: J1.398.905B

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 190

Related reactions

1 records

New reaction record

HRID 2247787As reactantuspto-grants-1991_08

Compound notes

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