Cas no 104601-38-9 (3-PHENYLDIBENZOTHIOPHENE)
3-PHENYLDIBENZOTHIOPHENE structure
Product Name:3-PHENYLDIBENZOTHIOPHENE
CAS No:104601-38-9
MF:C18H12S
MW:260.352883338928
CID:126296
PubChem ID:53447157
Update Time:2025-04-18
3-PHENYLDIBENZOTHIOPHENE Chemical and Physical Properties
Names and Identifiers
-
- 3-PHENYLDIBENZOTHIOPHENE
- Foroxymithine
- 3-Phenyldibenzothiophene500μg
- ACMC-1BPRO
- AG-D-17014
- CTK0H2555
- SureCN4235905
- DTXSID60703409
- SLQWXGMHQCRWHC-UHFFFAOYSA-N
- SCHEMBL4235905
- 104601-38-9
- 3-Phenyldibenzo[b,d]thiophene
- 98251-30-0
-
- Inchi： 1S/C18H12S/c1-2-6-13(7-3-1)14-10-11-16-15-8-4-5-9-17(15)19-18(16)12-14/h1-12H
- InChI Key： SLQWXGMHQCRWHC-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C2C=CC(C3C=CC=CC=3)=CC1=2
Computed Properties
- Exact Mass: 260.06600
- Monoisotopic Mass: 260.06597156g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 307
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6
- Topological Polar Surface Area: 28.2?2
Experimental Properties
- PSA: 28.24000
- LogP: 5.72150
3-PHENYLDIBENZOTHIOPHENE Related Literature
-
Saketh Mylavarapu,Mamta Yadav,M. Bhanuchandra Org. Biomol. Chem. 2018 16 7815
-
2. Preparation and Diels–Alder reactivity of benzothieno[2,3-c]- and benzothieno[3,2-c]-pyran-3-ones, benzothiophene-2,3-quinodimethane analogues; synthesis of dibenzothiophenesP. Mark Jackson,Christopher J. Moody J. Chem. Soc. Perkin Trans. 1 1990 681
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