benzo[b]naphtho[2,3-d]thiophene

Synonyms: "benzo(B)naphtho(2,3-D)thiophene", "naphtho[2,3-b][1]benzothiophene", "naphtho[2,3-b][1]benzothiole", "naphtho[2,3-b]benzo[b]thiophene", "benzo[d]naphtho[2,3-b]thiophene".

Source: benzo[b]naphtho[2,3-d]thiophene is produced by incomplete combustion of organic material.

Identifiers:

IUPAC Name: naphtho[2,3-b][1]benzothiole
CAS Number: 243-46-9
PubChem ID: 9203
InChiKey: UWMISBRPSJFHIR-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C=C3C(=CC2=C1)C4=CC=CC=C4S3

Structural Properties:

Molecular Formula: C₁₆H₁₀S
Molecular Weight: 234.316

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 17

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Fertuck KC, Kumar S, Sikka HC, Matthews JB, Zacharewski TR. 2001. Interaction of PAH-related compounds with the alpha and beta isoforms of the estrogen receptor. Toxicol Lett 121(3):167-177. DOI: 10.1016/S0378-4274(01)00344-7. URL: http://www.sciencedirect.com/science/article/pii/S0378427401003447?via%3Dihub.